data_1osl_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 1osl _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.442 -0.868 0 N-CA-C 105.565 -2.013 . . . . 3.76 105.565 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.716 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 1.5 mt -60.1 -22.75 63.17 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 119.152 -1.019 . . . . 2.85 110.583 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -65.3 -36.95 85.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.316 -0.856 . . . . 4.61 110.255 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.77 -45.11 83.73 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 114.637 -1.165 . . . . 4.13 110.121 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.525 HG13 ' HE3' ' A' ' 42' ' ' MET . 91.9 t -67.29 -39.93 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 108.81 -0.811 . . . . 2.91 108.81 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -59.54 -48.28 82.28 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.372 -1.286 . . . . 3.39 111.057 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.65 -50.14 66.08 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.564 -0.744 . . . . 5.24 109.61 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.819 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 53.6 t80 -61.44 -27.81 68.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.84 -1.073 . . . . 4.13 111.69 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.421 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -84.31 -27.3 27.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.862 0.839 . . . . 2.89 109.435 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.45 35.11 8.84 Favored Glycine 0 N--CA 1.441 -1.016 0 CA-C-N 114.549 -1.205 . . . . 3.45 110.809 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.557 HG21 HG12 ' A' ' 38' ' ' VAL . 6.4 m -139.55 147.28 24.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 114.242 -0.979 . . . . 3.39 110.348 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.2 m -56.1 151.97 11.35 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.578 0.704 . . . . 4.52 110.193 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.716 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 83.1 t80 -53.37 -51.07 63.66 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.816 -1.084 . . . . 3.95 112.117 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -60.74 -21.22 62.75 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.965 -1.016 . . . . 5.71 111.317 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.576 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 5.7 m -70.11 -62.49 1.36 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.36 -0.382 . . . . 3.86 110.434 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.523 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -69.46 -29.86 43.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.917 -0.583 . . . . 3.01 111.795 -179.078 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.1 t -58.3 -44.82 88.71 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.438 -0.579 . . . . 3.29 109.438 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.576 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -71.39 -26.55 62.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.114 -0.698 . . . . 4.68 109.114 179.484 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.044 HG11 HG22 ' A' ' 38' ' ' VAL . 42.8 t -66.04 -50.21 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.19 -0.914 . . . . 3.04 110.067 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.15 -0.932 . . . . 2.72 111.354 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.697 ' O ' HG11 ' A' ' 38' ' ' VAL . 7.8 m . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 120.459 0.171 . . . . 3.04 111.2 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 25.1 mtt180 -65.42 -34.3 77.97 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.19 -0.671 . . . . 4.53 109.19 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -64.76 -42.67 94.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.086 -0.961 . . . . 3.55 111.296 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -37.55 52.41 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.128 -0.629 . . . . 3.16 111.613 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.044 HG22 HG11 ' A' ' 23' ' ' VAL . 3.3 m -63.65 -47.39 91.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 108.549 -0.908 . . . . 2.68 108.549 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.503 ' N ' HG23 ' A' ' 38' ' ' VAL . 2.8 mt-10 -60.43 -42.94 97.09 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.618 -0.719 . . . . 3.27 109.407 177.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.46 -56.64 17.95 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.256 -0.646 . . . . 2.9 109.256 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.819 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -49.95 -51.58 40.2 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 113.265 0.839 . . . . 2.89 113.265 -178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.525 ' HE3' HG13 ' A' ' 9' ' ' VAL . 18.0 ptp -64.44 -32.07 73.55 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.631 -0.428 . . . . 2.88 110.318 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.27 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.413 . . . . 3.6 111.162 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.61 -44.31 74.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.635 -0.712 . . . . 4.09 110.806 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -80.6 -0.56 38.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.548 . . . . 4.07 110.867 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 1.7 t-20 . . . . . 0 N--CA 1.475 0.799 0 O-C-N 123.704 0.628 . . . . 4.18 109.789 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.434 -1.241 0 N-CA-C 104.885 -2.265 . . . . 3.24 104.885 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.809 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.1 mt -59.99 -20.37 57.36 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 118.722 -1.191 . . . . 2.75 110.59 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -37.2 86.38 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.284 -0.871 . . . . 4.42 109.999 177.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -65.44 -44.73 86.4 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 114.067 -1.424 . . . . 3.77 110.472 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.524 HG12 ' HE3' ' B' ' 42' ' ' MET . 89.9 t -67.46 -40.13 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 108.634 -0.876 . . . . 2.69 108.634 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.516 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -59.96 -46.98 87.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.15 -1.386 . . . . 3.33 111.318 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -65.99 -49.46 67.72 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.302 0.572 . . . . 5.21 109.636 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.859 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 42.4 t80 -59.81 -28.18 67.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.065 -0.971 . . . . 3.88 111.274 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.451 ' HB1' HG21 ' B' ' 15' ' ' VAL . . . -86.66 -26.48 24.32 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.283 -0.636 . . . . 2.94 109.283 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.38 33.37 10.52 Favored Glycine 0 CA--C 1.499 -0.932 0 CA-C-N 115.069 -0.969 . . . . 3.68 111.212 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.607 HG23 HG12 ' B' ' 20' ' ' VAL . 10.0 m -139.85 151.4 22.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 114.679 -0.761 . . . . 3.67 112.078 -176.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -51.1 156.59 1.04 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.536 0.684 . . . . 4.41 109.755 178.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.809 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 90.4 t80 -56.62 -58.31 8.6 Favored 'General case' 0 CA--C 1.49 -1.363 0 CA-C-N 115.475 -0.784 . . . . 3.82 109.373 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.877 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -72.69 7.74 1.79 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 120.393 -0.523 . . . . 5.51 111.571 178.571 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.607 HG22 ' HB ' ' B' ' 15' ' ' VAL . 22.4 m -72.5 -62.62 1.38 Allowed 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 101.996 -3.335 . . . . 4.01 101.996 170.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.75 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 0.8 OUTLIER -74.89 -35.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 113.085 -1.871 . . . . 2.96 113.604 178.338 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.877 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 73.9 m -60.39 -34.98 74.68 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.167 0.508 . . . . 3.31 110.4 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -33.39 74.64 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.137 -1.431 . . . . 5.7 107.137 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.881 HG12 HG21 ' B' ' 38' ' ' VAL . 43.0 t -65.66 -49.84 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.034 -1.439 . . . . 3.44 109.387 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 114.847 -1.07 . . . . 3.12 111.851 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.418 ' O ' HG23 ' B' ' 38' ' ' VAL . 40.5 mtm-85 . . . . . 0 C--O 1.222 -0.383 0 CA-C-O 121.01 0.433 . . . . 4.15 110.758 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -68.07 -32.66 73.16 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.644 -0.707 . . . . 2.94 111.256 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -73.5 -44.33 58.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 3.51 110.38 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.881 HG21 HG12 ' B' ' 23' ' ' VAL . 2.8 m -68.01 -42.7 85.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.062 -0.718 . . . . 2.65 109.062 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 4.6 mt-10 -57.6 -44.15 85.22 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.334 -0.848 . . . . 3.0 109.546 177.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -63.44 -52.03 63.17 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 109.368 -0.605 . . . . 2.67 109.368 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.859 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.87 -52.0 58.99 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.345 0.869 . . . . 2.68 113.345 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.524 ' HE3' HG12 ' B' ' 9' ' ' VAL . 15.3 ptp -64.32 -31.8 73.14 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 121.164 -0.214 . . . . 2.74 110.508 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.11 -42.42 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 3.43 111.229 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 54.3 mm-40 -69.78 -44.89 69.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.432 0.634 . . . . 3.81 111.037 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.0 mt . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 115.288 -0.869 . . . . 3.86 110.803 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 CA--C 1.502 -0.894 0 N-CA-C 105.711 -1.959 . . . . 3.76 105.711 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.3 mt -59.78 -21.63 61.06 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 118.954 -1.099 . . . . 2.85 110.562 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -64.79 -38.78 92.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.273 -0.876 . . . . 4.61 110.632 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -64.62 -45.59 86.21 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 114.413 -1.267 . . . . 4.13 110.423 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.515 HG12 ' HE2' ' A' ' 42' ' ' MET . 84.1 t -68.09 -41.48 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 CA-C-N 115.535 -0.757 . . . . 2.91 109.092 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.531 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.65 -49.17 77.35 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.422 -1.263 . . . . 3.39 111.585 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -67.2 -47.85 69.68 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.729 -0.668 . . . . 5.24 109.777 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.805 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 49.3 t80 -61.48 -30.08 70.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.801 -0.636 . . . . 4.13 111.445 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB3' HG21 ' A' ' 15' ' ' VAL . . . -81.63 -27.29 34.21 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.839 0.828 . . . . 2.89 109.851 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.06 34.02 9.17 Favored Glycine 0 N--CA 1.44 -1.095 0 CA-C-N 114.629 -1.168 . . . . 3.45 110.702 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.65 HG13 HG23 ' A' ' 34' ' ' THR . 4.7 m -139.25 146.83 25.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.143 -1.028 . . . . 3.39 110.242 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 m -54.88 151.0 9.18 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.612 0.72 . . . . 4.52 110.809 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.59 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 58.1 t80 -52.51 -51.78 57.83 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 114.518 -1.219 . . . . 3.95 111.894 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -24.46 66.65 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.699 -1.137 . . . . 5.71 112.134 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -67.4 -60.86 2.23 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.818 0.342 . . . . 3.86 110.861 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.578 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 1.4 m -68.02 -28.54 41.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.034 -0.53 . . . . 3.01 112.03 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.2 m -55.85 -43.72 77.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.239 0.542 . . . . 3.29 109.697 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -70.62 -29.39 65.76 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.581 -0.736 . . . . 4.68 109.718 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.958 HG13 HG22 ' A' ' 38' ' ' VAL . 88.9 t -65.41 -44.21 94.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.106 -0.952 . . . . 3.04 110.022 -179.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.498 0.666 . . . . 2.72 109.834 178.53 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.694 ' O ' HG13 ' A' ' 38' ' ' VAL . 31.6 m . . . . . 0 N--CA 1.442 -0.841 0 CA-C-O 120.376 0.131 . . . . 3.04 111.056 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.507 ' HG3' HG11 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -63.01 -38.43 91.16 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 109.268 -0.642 . . . . 4.53 109.268 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -68.63 -34.23 75.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.763 -1.108 . . . . 3.55 110.526 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -70.57 -46.39 63.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.841 -0.618 . . . . 3.16 110.754 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.958 HG22 HG13 ' A' ' 23' ' ' VAL . 2.3 m -65.43 -44.91 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.478 -0.564 . . . . 2.68 109.478 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.452 ' N ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.57 -41.22 97.08 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.724 -0.671 . . . . 3.27 109.362 178.752 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.57 -56.22 22.27 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.414 -0.958 . . . . 2.9 108.414 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.805 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.67 -51.4 49.66 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 113.246 0.832 . . . . 2.89 113.246 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.535 ' HE2' ' HB3' ' A' ' 42' ' ' MET . 16.0 ptp -64.73 -32.39 74.04 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.865 -0.334 . . . . 2.88 110.445 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.93 65.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.423 . . . . 3.6 111.156 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 0.8 OUTLIER -69.09 -44.53 72.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.799 -0.637 . . . . 4.09 110.895 -179.231 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.1 mt -80.97 0.42 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.922 -0.581 . . . . 4.07 110.998 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 N--CA 1.473 0.705 0 C-N-CA 123.601 0.76 . . . . 4.18 110.244 -179.132 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.439 -1.014 0 N-CA-C 104.761 -2.311 . . . . 3.24 104.761 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.781 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.3 mt -59.16 -21.23 59.06 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.849 -1.14 . . . . 2.75 110.452 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.471 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.47 -36.34 83.43 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.898 -1.046 . . . . 4.42 109.724 177.122 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' B' ' 5' ' ' THR . 37.7 m-20 -65.88 -44.05 86.46 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.423 -1.262 . . . . 3.77 110.101 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.499 HG11 ' HE3' ' B' ' 42' ' ' MET . 79.7 t -67.58 -41.02 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.923 0.868 . . . . 2.69 109.014 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.474 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -60.8 -47.54 85.86 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.13 -1.396 . . . . 3.33 111.376 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.92 -48.65 73.39 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.68 -0.691 . . . . 5.21 109.252 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.841 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.4 t80 -60.87 -27.55 68.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.103 -0.953 . . . . 3.88 111.636 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.463 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -86.67 -25.68 24.7 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.51 0.672 . . . . 2.94 109.354 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.83 31.14 15.94 Favored Glycine 0 CA--C 1.496 -1.123 0 CA-C-N 115.031 -0.986 . . . . 3.68 111.624 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.684 HG21 HG12 ' B' ' 20' ' ' VAL . 13.5 m -139.89 151.38 21.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.621 -0.79 . . . . 3.67 110.395 -176.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -50.82 156.41 0.97 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.475 0.655 . . . . 4.41 110.653 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.781 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 59.6 t80 -51.5 -58.67 5.65 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 115.416 -0.811 . . . . 3.82 109.315 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.718 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.4 8.72 2.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.889 0.852 . . . . 5.51 112.621 179.547 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.589 HG22 ' HB ' ' B' ' 15' ' ' VAL . 52.2 m -74.46 -57.38 3.97 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 102.432 -3.173 . . . . 4.01 102.432 173.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.853 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -78.77 -34.68 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 111.995 -2.366 . . . . 2.96 113.22 175.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.718 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 20.1 m -64.94 -28.88 69.82 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 120.704 -1.247 . . . . 3.31 109.09 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.656 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 5.8 ttt180 -64.73 -36.01 82.92 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 106.952 -1.499 . . . . 5.7 106.952 176.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.781 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 82.8 t -62.72 -52.97 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 113.76 -1.563 . . . . 3.44 109.344 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 CA--C 1.541 0.602 0 CA-C-N 115.348 -0.842 . . . . 3.12 111.91 178.92 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.56 ' HA ' HG22 ' B' ' 38' ' ' VAL . 22.9 mtm180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 110.071 -0.344 . . . . 4.15 110.071 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -65.16 -36.32 83.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.989 -0.551 . . . . 2.94 110.385 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -78.43 -43.69 26.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.953 -0.567 . . . . 3.51 110.998 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.853 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.5 m -66.7 -45.14 88.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.737 -0.468 . . . . 2.65 109.737 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 11.0 mt-10 -59.7 -42.97 94.19 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.06 -0.719 . . . . 3.0 109.06 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.705 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.93 -54.3 43.74 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.151 -0.685 . . . . 2.67 109.151 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.841 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.38 -51.54 53.71 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 113.077 0.769 . . . . 2.68 113.077 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.499 ' HE3' HG11 ' B' ' 9' ' ' VAL . 17.0 ptp -65.29 -32.79 74.63 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 120.795 -0.362 . . . . 2.74 110.271 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.73 -42.45 70.54 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.9 0.381 . . . . 3.43 111.546 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.705 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.1 mm-40 -68.76 -44.56 73.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.925 -0.579 . . . . 3.81 110.475 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.5 mt . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.432 -0.804 . . . . 3.86 110.406 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.438 -1.068 0 N-CA-C 105.809 -1.923 . . . . 3.76 105.809 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.653 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 3.1 mt -58.08 -24.36 58.27 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 119.653 -0.819 . . . . 2.85 112.056 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -64.87 -36.76 85.4 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.867 0.841 . . . . 4.61 110.497 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.58 -46.04 80.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.022 -1.445 . . . . 4.13 110.046 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.519 HG13 ' HE1' ' A' ' 42' ' ' MET . 87.2 t -67.81 -40.88 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 115.339 -0.846 . . . . 2.91 109.393 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.516 ' HA ' HG12 ' A' ' 20' ' ' VAL . . . -58.69 -46.86 86.32 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.511 -1.222 . . . . 3.39 111.594 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -49.16 64.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.465 0.65 . . . . 5.24 109.427 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.783 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.4 t80 -61.79 -27.59 68.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.707 -1.133 . . . . 4.13 111.653 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HB1' HG22 ' A' ' 15' ' ' VAL . . . -84.62 -27.66 27.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.631 0.729 . . . . 2.89 109.573 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.91 34.56 8.86 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 114.85 -1.068 . . . . 3.45 110.997 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.564 HG11 HG23 ' A' ' 34' ' ' THR . 4.3 m -139.66 147.05 24.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.391 -0.904 . . . . 3.39 110.075 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 m -56.14 149.2 16.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.999 -0.68 . . . . 4.52 110.688 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.653 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 76.3 t80 -49.68 -51.03 41.14 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.603 -1.18 . . . . 3.95 112.079 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -23.67 66.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.104 -0.953 . . . . 5.71 111.903 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.8 m -67.1 -61.6 1.85 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.851 0.358 . . . . 3.86 110.063 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.524 ' HB ' ' CG1' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -69.05 -29.05 41.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.888 -0.596 . . . . 3.01 111.305 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.3 t -58.77 -41.41 86.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.359 -0.608 . . . . 3.29 109.359 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -31.19 68.83 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.754 -0.832 . . . . 4.68 108.754 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.054 HG13 HG21 ' A' ' 38' ' ' VAL . 76.8 t -66.69 -50.66 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 114.416 -1.265 . . . . 3.04 110.588 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.17 -0.923 . . . . 2.72 111.55 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.692 ' O ' HG13 ' A' ' 38' ' ' VAL . 10.6 m . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 111.447 0.165 . . . . 3.04 111.447 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -64.57 -38.5 91.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.205 0.526 . . . . 4.53 109.598 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.38 -33.22 74.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.038 -0.983 . . . . 3.55 110.714 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -75.7 -43.87 45.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.98 -0.554 . . . . 3.16 110.744 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.054 HG21 HG13 ' A' ' 23' ' ' VAL . 3.0 m -64.55 -46.87 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.325 -0.62 . . . . 2.68 109.325 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.487 ' N ' HG22 ' A' ' 38' ' ' VAL . 2.7 mt-10 -61.44 -41.13 96.73 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.004 -0.543 . . . . 3.27 109.543 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.31 -57.14 13.54 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 108.637 -0.875 . . . . 2.9 108.637 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.783 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.21 -51.3 45.28 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 113.085 0.772 . . . . 2.89 113.085 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.519 ' HE1' HG13 ' A' ' 9' ' ' VAL . 17.4 ptp -64.16 -32.24 73.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.743 -0.383 . . . . 2.88 110.401 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.17 -47.15 52.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.946 0.403 . . . . 3.6 110.804 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.408 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -66.76 -40.12 88.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.681 -0.691 . . . . 4.09 110.117 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.6 mt -81.53 -0.77 43.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 4.07 110.708 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 . . . . . 0 N--CA 1.471 0.586 0 C-N-CA 123.526 0.73 . . . . 4.18 111.08 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.437 -1.083 0 N-CA-C 106.017 -1.845 . . . . 3.24 106.017 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.818 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.3 mt -58.92 -22.78 60.39 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.164 -1.014 . . . . 2.75 110.191 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.485 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.0 OUTLIER -63.66 -37.8 88.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.978 -1.01 . . . . 4.42 109.582 177.373 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' B' ' 5' ' ' THR . 2.3 m-20 -67.32 -42.03 84.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.839 -1.528 . . . . 3.77 109.933 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.517 HG11 ' HE2' ' B' ' 42' ' ' MET . 76.3 t -68.71 -44.17 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 115.318 -0.856 . . . . 2.69 109.387 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.523 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -58.48 -46.83 85.85 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.334 -1.303 . . . . 3.33 111.25 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.62 -48.8 73.53 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.484 -0.78 . . . . 5.21 109.525 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.78 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.4 t80 -61.57 -29.01 69.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.148 -0.933 . . . . 3.88 111.244 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.464 ' HB3' HG21 ' B' ' 15' ' ' VAL . . . -83.26 -26.33 30.8 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.716 0.77 . . . . 2.94 109.438 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.45 32.09 12.42 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 114.456 -1.247 . . . . 3.68 111.295 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.545 HG23 HG12 ' B' ' 20' ' ' VAL . 10.3 m -140.09 152.47 21.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.009 -0.595 . . . . 3.67 112.203 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.456 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -51.06 159.53 0.59 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.6 0.714 . . . . 4.41 110.053 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.818 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 75.4 t80 -57.46 -56.63 19.32 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.379 -0.828 . . . . 3.82 110.259 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.84 9.66 2.25 Favored 'General case' 0 CA--C 1.487 -1.479 0 CA-C-N 115.5 -0.773 . . . . 5.51 110.661 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.542 ' O ' HG21 ' B' ' 23' ' ' VAL . 86.2 m -73.59 -57.62 3.87 Favored 'General case' 0 N--CA 1.407 -2.613 0 N-CA-C 101.561 -3.496 . . . . 4.01 101.561 172.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.884 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.1 m -78.43 -33.17 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.631 -2.077 . . . . 2.96 113.596 177.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -32.12 73.48 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.847 -1.158 . . . . 3.31 110.123 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.0 -32.84 73.52 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.156 -1.424 . . . . 5.7 107.156 177.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.805 HG13 HG21 ' B' ' 38' ' ' VAL . 54.5 t -66.03 -52.63 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 113.74 -1.573 . . . . 3.44 110.083 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.483 ' CG2' ' HE3' ' B' ' 42' ' ' MET . 50.4 t . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 114.659 -1.155 . . . . 3.12 112.175 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.533 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 67.9 mtm-85 . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.874 0.369 . . . . 4.15 110.327 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -67.06 -43.14 83.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.579 -0.737 . . . . 2.94 110.795 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -70.28 -43.43 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.574 -0.285 . . . . 3.51 111.71 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.884 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -67.52 -47.42 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.785 -0.366 . . . . 2.65 110.429 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.3 mm-40 -62.99 -37.82 88.68 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.239 -0.652 . . . . 3.0 109.239 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.27 -55.16 37.1 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.292 -1.003 . . . . 2.67 108.292 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.78 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.9 -51.64 49.8 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.378 -0.828 . . . . 2.68 113.058 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.517 ' HE2' HG11 ' B' ' 9' ' ' VAL . 18.9 ptp -64.23 -32.67 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.908 0.385 . . . . 2.74 110.596 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.57 -45.73 61.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.184 -0.462 . . . . 3.43 110.936 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.475 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.4 OUTLIER -66.77 -41.95 86.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.626 -0.716 . . . . 3.81 111.147 -178.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.9 mt . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 3.86 111.289 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 CA--C 1.504 -0.791 0 N-CA-C 106.639 -1.615 . . . . 3.76 106.639 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.647 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 1.9 mt -59.6 -23.41 62.94 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 118.838 -1.145 . . . . 2.85 110.949 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.63 -38.78 92.16 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.815 0.817 . . . . 4.61 110.657 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -65.6 -43.96 88.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.196 -1.365 . . . . 4.13 110.612 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.518 HG12 ' HE1' ' A' ' 42' ' ' MET . 86.8 t -68.12 -40.67 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 108.934 -0.765 . . . . 2.91 108.934 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' ' 17' ' ' TYR . . . -58.27 -47.2 84.37 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.269 -1.332 . . . . 3.39 111.347 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.5 -50.21 64.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.342 0.591 . . . . 5.24 109.64 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.86 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.0 t80 -60.97 -27.8 68.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.96 -1.018 . . . . 4.13 111.633 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.6 -27.54 29.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.771 0.796 . . . . 2.89 109.591 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.89 33.59 9.68 Favored Glycine 0 N--CA 1.44 -1.067 0 CA-C-N 114.778 -1.101 . . . . 3.45 110.893 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.547 HG12 HG21 ' A' ' 34' ' ' THR . 5.8 m -138.16 146.49 26.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.245 -0.977 . . . . 3.39 109.883 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.8 m -56.2 150.49 14.16 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.612 0.72 . . . . 4.52 110.22 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.647 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 71.6 t80 -51.56 -50.49 59.99 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.591 -1.186 . . . . 3.95 112.351 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.422 HE21 ' HB3' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -64.35 -20.54 66.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.715 -1.13 . . . . 5.71 111.475 -176.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 23' ' ' VAL . 7.4 m -69.22 -61.06 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 3.86 110.301 178.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.548 ' HB ' ' CG1' ' A' ' 38' ' ' VAL . 1.1 m -68.34 -28.75 41.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.066 -0.515 . . . . 3.01 112.243 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.8 m -55.61 -44.97 77.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.01 0.433 . . . . 3.29 110.059 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -28.69 65.27 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.867 -0.606 . . . . 4.68 109.476 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.03 HG11 HG21 ' A' ' 38' ' ' VAL . 93.5 t -66.58 -51.0 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.244 -0.889 . . . . 3.04 110.04 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.224 -0.898 . . . . 2.72 111.631 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.718 ' O ' HG13 ' A' ' 38' ' ' VAL . 87.1 m . . . . . 0 N--CA 1.443 -0.805 0 CA-C-O 120.523 0.202 . . . . 3.04 110.822 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -62.58 -34.52 77.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.098 0.475 . . . . 4.53 110.036 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -66.92 -42.19 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.439 -0.8 . . . . 3.55 111.398 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.504 ' HE3' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -77.84 -37.31 48.74 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 120.628 -0.429 . . . . 3.16 111.775 -178.66 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.03 HG21 HG11 ' A' ' 23' ' ' VAL . 4.1 m -62.98 -45.0 99.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 108.494 -0.928 . . . . 2.68 108.494 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.492 ' N ' HG22 ' A' ' 38' ' ' VAL . 5.3 mt-10 -61.67 -43.24 99.23 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.518 -0.764 . . . . 3.27 109.321 178.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.581 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.84 -54.83 40.38 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.03 -0.729 . . . . 2.9 109.03 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.86 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.88 -51.79 54.3 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 113.417 0.895 . . . . 2.89 113.417 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.518 ' HE1' HG12 ' A' ' 9' ' ' VAL . 18.1 ptp -64.17 -32.02 73.44 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.781 -0.367 . . . . 2.88 110.542 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.71 -44.97 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 3.6 111.063 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 5.1 mm-40 -68.08 -43.22 79.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.808 -0.633 . . . . 4.09 110.578 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.8 mt -80.46 0.68 32.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.45 -0.795 . . . . 4.07 110.649 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 8.1 t30 . . . . . 0 N--CA 1.47 0.54 0 O-C-N 123.759 0.662 . . . . 4.18 110.374 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.436 -1.155 0 N-CA-C 105.219 -2.141 . . . . 3.24 105.219 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.826 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -59.47 -23.1 62.44 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 118.68 -1.208 . . . . 2.75 110.419 -178.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -35.84 81.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.062 -0.972 . . . . 4.42 109.858 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -65.81 -44.7 84.87 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.689 -1.141 . . . . 3.77 110.265 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.486 HG12 ' HE3' ' B' ' 42' ' ' MET . 73.6 t -67.43 -41.12 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.976 0.894 . . . . 2.69 108.934 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.44 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.13 -46.4 89.76 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.948 -1.478 . . . . 3.33 111.266 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -49.01 71.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.024 -0.732 . . . . 5.21 109.024 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.84 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 36.6 t80 -61.08 -30.88 70.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.395 -0.821 . . . . 3.88 111.504 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.424 ' HB1' HG23 ' B' ' 15' ' ' VAL . . . -81.93 -26.11 34.33 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.679 -0.859 . . . . 2.94 108.679 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.12 32.34 12.6 Favored Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 114.124 -1.398 . . . . 3.68 111.264 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.826 ' HB ' HG22 ' B' ' 19' ' ' THR . 10.0 m -140.1 152.93 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 CA-C-N 115.374 -0.413 . . . . 3.67 111.341 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.6 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.9 m -50.4 158.61 0.57 Allowed 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 122.729 1.252 . . . . 4.41 112.273 177.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.826 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 88.6 t80 -54.51 -61.03 2.57 Favored 'General case' 0 CA--C 1.563 1.468 0 CA-C-N 115.311 -0.859 . . . . 3.82 110.634 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.905 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 2.0 mp0 -69.9 13.1 0.16 Allowed 'General case' 0 C--O 1.17 -3.11 0 C-N-CA 125.395 1.478 . . . . 5.51 107.695 172.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.826 HG22 ' HB ' ' B' ' 15' ' ' VAL . 20.8 m -77.58 -62.85 1.53 Allowed 'General case' 0 N--CA 1.416 -2.164 1 C-N-CA 110.47 -4.492 . . . . 4.01 106.025 168.522 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.821 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -72.98 -29.22 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.212 0 CA-C-N 111.97 -2.377 . . . . 2.96 113.352 173.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.905 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 49.3 m -62.81 -34.79 78.03 Favored 'General case' 0 C--O 1.208 -1.119 0 C-N-CA 119.157 -1.017 . . . . 3.31 109.465 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -69.68 -30.17 67.78 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 107.522 -1.288 . . . . 5.7 107.522 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.768 HG13 HG22 ' B' ' 38' ' ' VAL . 98.5 t -66.08 -52.77 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-N 114.309 -1.314 . . . . 3.44 108.739 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 114.992 -1.004 . . . . 3.12 112.002 178.237 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 27.4 mtm180 . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.555 -0.535 . . . . 4.15 109.555 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -67.1 -33.93 76.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.43 -0.805 . . . . 2.94 110.489 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -70.92 -47.31 59.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.972 -0.558 . . . . 3.51 110.285 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.821 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.7 m -68.52 -45.08 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.816 -0.439 . . . . 2.65 109.816 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.429 ' N ' HG23 ' B' ' 38' ' ' VAL . 13.6 mt-10 -60.29 -41.22 92.93 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.645 -0.502 . . . . 3.0 109.645 178.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -64.81 -51.9 59.69 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.987 -0.746 . . . . 2.67 108.987 177.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.84 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.62 -51.66 53.88 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 112.755 0.65 . . . . 2.68 112.755 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.486 ' HE3' HG12 ' B' ' 9' ' ' VAL . 16.7 ptp -64.66 -32.25 73.83 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.015 -0.274 . . . . 2.74 110.36 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.2 -45.02 64.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.363 . . . . 3.43 111.252 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 19.4 mm-40 -67.32 -44.51 78.95 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.952 -0.567 . . . . 3.81 110.73 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.1 mt . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.567 -0.742 . . . . 3.86 110.621 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.2 p . . . . . 0 CA--C 1.505 -0.774 0 N-CA-C 106.276 -1.75 . . . . 3.76 106.276 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.9 mt -59.2 -24.08 62.81 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 119.648 -0.821 . . . . 2.85 111.154 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -65.0 -36.9 85.9 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.864 0.84 . . . . 4.61 110.292 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -65.7 -44.93 84.65 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 114.18 -1.373 . . . . 4.13 109.853 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.529 HG11 ' HE2' ' A' ' 42' ' ' MET . 92.7 t -68.78 -42.09 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.534 -0.757 . . . . 2.91 109.39 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.51 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -57.54 -47.46 81.96 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.566 -1.197 . . . . 3.39 111.592 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -68.91 -48.6 62.9 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.586 -0.524 . . . . 5.24 109.586 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.818 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 54.3 t80 -60.07 -27.21 66.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.473 -0.785 . . . . 4.13 111.509 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.408 ' HB3' HG21 ' A' ' 15' ' ' VAL . . . -85.94 -28.0 24.56 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.698 0.761 . . . . 2.89 109.724 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.44 34.21 8.77 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 114.831 -1.077 . . . . 3.45 111.163 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.854 HG11 HG23 ' A' ' 34' ' ' THR . 3.3 m -138.17 147.76 25.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.42 -0.89 . . . . 3.39 110.389 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -55.43 147.27 17.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.288 0.566 . . . . 4.52 110.595 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 60.7 t80 -50.47 -51.95 42.56 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.832 -1.076 . . . . 3.95 112.299 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -29.06 67.8 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.985 -1.007 . . . . 5.71 111.758 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.612 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.2 m -64.54 -61.32 2.28 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.557 -0.292 . . . . 3.86 110.683 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.556 HG11 HG23 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -68.69 -30.19 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.36 -0.382 . . . . 3.01 111.728 -178.778 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.2 t -57.96 -47.11 83.88 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.264 -0.643 . . . . 3.29 109.264 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -70.08 -27.93 65.01 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.295 -0.866 . . . . 4.68 109.642 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.038 HG12 HG22 ' A' ' 38' ' ' VAL . 40.6 t -64.7 -47.88 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.396 -0.82 . . . . 3.04 109.236 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.435 ' CG2' ' HE3' ' A' ' 42' ' ' MET . 77.6 t . . . . . 0 C--O 1.234 0.238 0 CA-C-N 115.66 -0.7 . . . . 2.72 110.915 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.854 HG23 HG11 ' A' ' 15' ' ' VAL . 17.9 m . . . . . 0 N--CA 1.443 -0.806 0 CA-C-O 120.487 0.184 . . . . 3.04 111.206 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.44 ' O ' HG21 ' A' ' 38' ' ' VAL . 10.9 mtp180 -66.95 -40.27 87.47 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.794 -0.362 . . . . 4.53 110.781 -178.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -68.2 -31.77 71.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.201 -0.454 . . . . 3.55 109.859 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -72.85 -44.35 61.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.038 -0.528 . . . . 3.16 110.555 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.038 HG22 HG12 ' A' ' 23' ' ' VAL . 3.0 m -65.2 -44.53 95.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 108.651 -0.87 . . . . 2.68 108.651 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 38' ' ' VAL . 13.6 mt-10 -59.61 -45.22 92.59 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.369 -0.832 . . . . 3.27 109.42 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.645 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.83 -55.05 37.68 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.175 -0.676 . . . . 2.9 109.175 178.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.818 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.16 -52.19 46.45 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 113.371 0.878 . . . . 2.89 113.371 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.542 ' HE2' ' HB3' ' A' ' 42' ' ' MET . 15.9 ptp -65.48 -32.18 73.65 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.724 -0.39 . . . . 2.88 110.302 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.93 -43.3 68.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.917 0.389 . . . . 3.6 111.097 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.645 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 10.9 mm-40 -68.53 -44.56 74.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.875 -0.602 . . . . 4.09 110.605 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.1 mt -80.77 0.66 33.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.476 -0.784 . . . . 4.07 110.908 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.449 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 3.4 t-20 . . . . . 0 N--CA 1.474 0.734 0 O-C-N 123.791 0.682 . . . . 4.18 110.096 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 24.3 p . . . . . 0 CA--C 1.502 -0.891 0 N-CA-C 105.844 -1.91 . . . . 3.24 105.844 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.781 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -61.25 -20.23 62.59 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 118.588 -1.245 . . . . 2.75 109.487 178.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.601 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.1 -38.85 92.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.696 -1.138 . . . . 4.42 110.014 176.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' B' ' 5' ' ' THR . 24.9 m-20 -63.66 -43.2 97.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.998 -1.455 . . . . 3.77 109.584 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.543 HG11 ' HE1' ' B' ' 42' ' ' MET . 82.8 t -68.43 -40.53 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 N-CA-C 108.753 -0.832 . . . . 2.69 108.753 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -59.77 -47.37 85.98 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.155 -1.384 . . . . 3.33 111.179 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -64.19 -50.37 68.35 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.338 -0.847 . . . . 5.21 109.552 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.858 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 41.7 t80 -60.14 -28.42 67.88 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.678 -1.146 . . . . 3.88 111.359 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.434 ' HB3' HG23 ' B' ' 15' ' ' VAL . . . -85.42 -25.99 26.65 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.84 0.828 . . . . 2.94 109.239 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.3 33.99 10.01 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 114.29 -1.323 . . . . 3.68 111.135 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.705 HG22 HG12 ' B' ' 20' ' ' VAL . 11.5 m -142.24 151.29 18.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.126 -0.537 . . . . 3.67 112.405 -176.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.5 m -50.36 163.3 0.17 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.963 0.887 . . . . 4.41 110.152 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.781 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 56.8 t80 -56.68 -57.12 13.78 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 114.676 -1.147 . . . . 3.82 110.937 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.617 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 1.2 tp60 -77.6 16.57 0.64 Allowed 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 125.081 1.488 . . . . 5.51 113.916 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.63 ' O ' HG22 ' B' ' 23' ' ' VAL . 63.4 m -82.02 -58.25 3.05 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 102.565 -3.124 . . . . 4.01 102.565 171.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.842 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -77.36 -39.87 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-N 110.1 -3.227 . . . . 2.96 112.052 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.617 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 46.6 m -61.57 -31.91 71.97 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.015 -1.053 . . . . 3.31 110.046 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.87 -30.25 66.59 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.13 -1.063 . . . . 5.7 108.13 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.773 HG13 HG21 ' B' ' 38' ' ' VAL . 87.7 t -66.05 -51.06 64.58 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 114.836 -1.075 . . . . 3.44 108.339 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.431 ' CG2' ' HE2' ' B' ' 42' ' ' MET . 91.8 t . . . . . 0 CA--C 1.53 0.206 0 CA-C-N 114.669 -1.15 . . . . 3.12 111.727 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 8.4 mtp180 . . . . . 0 C--O 1.226 -0.16 0 CA-C-O 120.632 0.253 . . . . 4.15 110.572 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -66.43 -39.02 88.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.32 0.581 . . . . 2.94 110.384 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -70.93 -44.91 65.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.379 -0.828 . . . . 3.51 111.243 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.842 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -68.2 -43.88 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.398 -0.365 . . . . 2.65 110.081 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.527 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -60.03 -41.15 91.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.909 -0.775 . . . . 3.0 108.909 177.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.614 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.43 -53.52 53.7 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.918 -0.771 . . . . 2.67 108.918 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.858 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.46 -51.86 51.35 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 113.494 0.924 . . . . 2.68 113.494 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.543 ' HE1' HG11 ' B' ' 9' ' ' VAL . 17.3 ptp -65.22 -32.28 73.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.74 0.305 . . . . 2.74 110.645 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.95 -42.43 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 3.43 111.218 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.1 mm-40 -68.97 -44.46 72.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.286 0.565 . . . . 3.81 110.558 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.9 mt . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.319 -0.855 . . . . 3.86 111.173 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.5 p . . . . . 0 N--CA 1.442 -0.864 0 N-CA-C 105.989 -1.856 . . . . 3.76 105.989 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.631 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 1.9 mt -59.96 -23.84 63.92 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.699 -0.8 . . . . 2.85 111.162 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -65.23 -38.04 89.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.605 -0.725 . . . . 4.61 110.316 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -65.69 -44.77 85.18 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 114.502 -1.226 . . . . 4.13 110.007 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.507 HG13 ' HE1' ' A' ' 42' ' ' MET . 94.3 t -68.42 -40.72 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 0 N-CA-C 108.988 -0.745 . . . . 2.91 108.988 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.35 -47.02 85.14 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.639 -1.164 . . . . 3.39 111.35 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -69.26 -49.48 55.76 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.612 -0.514 . . . . 5.24 109.612 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.854 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.5 t80 -60.07 -27.3 66.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.496 -0.775 . . . . 4.13 111.547 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.48 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -85.79 -28.24 24.65 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.528 0.68 . . . . 2.89 109.643 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 36.06 8.39 Favored Glycine 0 N--CA 1.439 -1.112 0 CA-C-N 114.915 -1.038 . . . . 3.45 111.049 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.733 HG11 HG22 ' A' ' 34' ' ' THR . 5.6 m -139.29 147.39 24.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 114.401 -0.9 . . . . 3.39 110.361 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 m -55.86 148.98 15.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.494 0.664 . . . . 4.52 110.211 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.631 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.8 t80 -52.62 -51.91 57.85 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.972 -1.013 . . . . 3.95 112.318 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -61.79 -23.12 66.0 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.189 -0.914 . . . . 5.71 111.248 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.584 ' O ' HG22 ' A' ' 23' ' ' VAL . 5.1 m -67.75 -60.87 2.19 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.317 -0.401 . . . . 3.86 109.946 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.582 ' HB ' ' CG1' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -68.4 -29.09 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.266 -0.424 . . . . 3.01 111.378 -179.391 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 t -56.09 -44.41 78.99 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.532 -0.544 . . . . 3.29 109.532 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -30.31 66.97 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.349 -0.611 . . . . 4.68 109.349 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.969 HG12 HG22 ' A' ' 38' ' ' VAL . 71.6 t -65.56 -47.16 87.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.305 -0.861 . . . . 3.04 110.615 -177.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.009 -0.996 . . . . 2.72 112.531 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.763 ' O ' HG12 ' A' ' 38' ' ' VAL . 64.8 m . . . . . 0 N--CA 1.444 -0.771 0 N-CA-C 111.718 0.266 . . . . 3.04 111.718 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.498 ' O ' HG21 ' A' ' 38' ' ' VAL . 6.2 ttm180 -65.24 -45.73 83.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.795 0.331 . . . . 4.53 111.054 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -28.82 67.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.082 -0.508 . . . . 3.55 110.124 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -69.93 -46.32 65.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.07 -0.514 . . . . 3.16 109.815 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.969 HG22 HG12 ' A' ' 23' ' ' VAL . 2.4 m -65.71 -43.99 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.986 -0.746 . . . . 2.68 108.986 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.7 mt-10 -59.96 -43.67 94.9 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.17 -0.923 . . . . 3.27 109.968 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.598 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -63.08 -52.52 62.35 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.153 -0.684 . . . . 2.9 109.153 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.854 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -52.81 -51.92 58.93 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.27 0.841 . . . . 2.89 113.27 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.511 ' HE1' ' HB3' ' A' ' 42' ' ' MET . 15.5 ptp -64.6 -31.61 72.91 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.028 -0.269 . . . . 2.88 110.395 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.71 -43.75 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 3.6 111.088 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 37.2 mm-40 -68.9 -44.86 72.31 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.829 -0.623 . . . . 4.09 111.223 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.8 mt -80.59 -0.15 36.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.513 -0.767 . . . . 4.07 110.474 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.8 t30 . . . . . 0 N--CA 1.471 0.61 0 C-N-CA 123.701 0.8 . . . . 4.18 110.331 -179.248 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.5 p . . . . . 0 CA--C 1.499 -1.015 0 N-CA-C 105.814 -1.921 . . . . 3.24 105.814 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.692 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.5 mt -60.91 -22.14 64.06 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 118.861 -1.136 . . . . 2.75 109.403 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -62.8 -39.8 95.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.738 -1.119 . . . . 4.42 109.279 177.583 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.25 -44.33 92.14 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 114.379 -1.282 . . . . 3.77 109.137 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.511 HG11 ' HE3' ' B' ' 42' ' ' MET . 75.3 t -67.99 -43.34 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.061 -0.972 . . . . 2.69 108.932 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.454 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.75 -46.35 84.61 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.295 -1.321 . . . . 3.33 111.541 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -49.87 70.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.365 0.602 . . . . 5.21 109.407 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.803 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.0 t80 -61.16 -29.54 69.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.812 -1.086 . . . . 3.88 111.444 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.459 ' HB3' HG21 ' B' ' 15' ' ' VAL . . . -82.85 -26.97 31.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.149 -0.686 . . . . 2.94 109.149 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.22 31.74 16.04 Favored Glycine 0 CA--C 1.498 -0.979 0 CA-C-N 114.75 -1.114 . . . . 3.68 111.099 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.709 HG23 HG13 ' B' ' 20' ' ' VAL . 6.0 m -141.49 148.46 21.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.306 -0.947 . . . . 3.67 111.007 -177.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.567 ' HB2' ' OG1' ' B' ' 19' ' ' THR . 4.8 m -47.89 155.06 0.46 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.141 0.496 . . . . 4.41 111.066 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.692 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.7 t80 -52.87 -60.97 2.61 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.862 -1.063 . . . . 3.82 110.136 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.964 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -71.3 3.52 3.6 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 123.8 0.687 . . . . 5.51 111.232 177.76 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.683 ' O ' HG22 ' B' ' 23' ' ' VAL . 52.5 m -71.13 -56.11 6.78 Favored 'General case' 0 N--CA 1.423 -1.779 0 N-CA-C 103.41 -2.811 . . . . 4.01 103.41 174.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.773 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -80.21 -32.9 13.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 112.163 -2.289 . . . . 2.96 112.858 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.964 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 41.3 t -62.92 -35.78 81.2 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 120.937 0.399 . . . . 3.31 110.183 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.5 OUTLIER -67.72 -30.52 70.03 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 106.815 -1.55 . . . . 5.7 106.815 178.023 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.773 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 98.6 t -66.19 -51.65 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 114.188 -1.369 . . . . 3.44 109.332 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.457 ' CG2' ' HE1' ' B' ' 42' ' ' MET . 2.8 t . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 114.541 -1.209 . . . . 3.12 112.312 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.467 ' O ' HG23 ' B' ' 38' ' ' VAL . 6.4 ttm-85 . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.853 0.359 . . . . 4.15 111.195 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -67.8 -29.56 68.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.041 -0.527 . . . . 2.94 110.865 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -72.22 -43.14 64.87 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.252 -0.277 . . . . 3.51 110.252 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.773 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.6 m -68.67 -43.5 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.022 -0.733 . . . . 2.65 109.022 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.428 ' N ' HG22 ' B' ' 38' ' ' VAL . 7.4 mt-10 -59.76 -41.09 90.27 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.448 -0.797 . . . . 3.0 109.027 177.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.635 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.78 -53.28 56.74 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.053 -0.721 . . . . 2.67 109.053 177.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.803 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.28 -51.26 55.79 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 113.048 0.758 . . . . 2.68 113.048 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.511 ' HE3' HG11 ' B' ' 9' ' ' VAL . 15.8 ptp -64.82 -32.32 73.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.246 -0.279 . . . . 2.74 110.246 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.34 -43.66 66.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.416 -0.356 . . . . 3.43 111.316 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 3.9 mm-40 -69.26 -45.66 69.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.905 -0.589 . . . . 3.81 111.173 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.5 mt . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.749 -0.659 . . . . 3.86 110.892 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 CA--C 1.507 -0.698 0 N-CA-C 105.197 -2.149 . . . . 3.76 105.197 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.634 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.2 mt -60.56 -21.1 62.18 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 118.71 -1.196 . . . . 2.85 111.529 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -65.0 -38.44 90.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.637 -0.71 . . . . 4.61 111.05 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -65.61 -45.78 81.82 Favored 'General case' 0 CA--C 1.507 -0.673 0 CA-C-N 114.461 -1.245 . . . . 4.13 110.785 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.512 HG12 ' HB3' ' A' ' 42' ' ' MET . 90.7 t -67.17 -39.41 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-O 121.735 0.778 . . . . 2.91 108.916 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.544 ' HA ' HG13 ' A' ' 20' ' ' VAL . . . -59.45 -46.83 87.66 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.352 -1.294 . . . . 3.39 111.148 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -67.35 -49.36 64.36 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.29 -0.633 . . . . 5.24 109.29 -178.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.803 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 47.7 t80 -61.24 -30.07 70.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.287 -0.869 . . . . 4.13 111.74 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.639 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -81.68 -27.29 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.815 0.817 . . . . 2.89 109.485 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.0 34.16 9.09 Favored Glycine 0 N--CA 1.438 -1.177 0 CA-C-N 114.678 -1.146 . . . . 3.45 110.305 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.643 HG23 HG12 ' A' ' 38' ' ' VAL . 2.0 m -140.14 146.85 24.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.284 -0.958 . . . . 3.39 110.774 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -55.02 149.67 11.53 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.661 0.744 . . . . 4.52 110.72 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.634 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 64.0 t80 -49.7 -50.93 41.97 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.328 -1.306 . . . . 3.95 112.285 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.511 ' NE2' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -63.04 -27.58 69.51 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.478 -0.783 . . . . 5.71 112.402 -178.409 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.531 ' O ' HG21 ' A' ' 23' ' ' VAL . 6.5 m -63.08 -61.85 2.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.713 0.292 . . . . 3.86 110.826 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.75 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 1.6 m -69.22 -29.33 42.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.393 -0.367 . . . . 3.01 111.413 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.2 t -57.97 -45.56 86.53 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.202 -0.666 . . . . 3.29 109.202 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.81 -24.04 62.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.583 -0.735 . . . . 4.68 110.027 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.886 HG11 HG21 ' A' ' 38' ' ' VAL . 48.0 t -65.55 -51.27 65.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 109.176 -0.676 . . . . 3.04 109.176 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.7 t . . . . . 0 CA--C 1.535 0.392 0 CA-C-N 115.321 -0.854 . . . . 2.72 110.961 178.745 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.869 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 2.1 m . . . . . 0 N--CA 1.437 -1.123 0 N-CA-C 111.645 0.239 . . . . 3.04 111.645 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 12.7 mtm180 -58.76 -46.47 87.41 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.44 -0.345 . . . . 4.53 110.417 -178.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -67.96 -28.84 67.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.867 -0.606 . . . . 3.55 111.035 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.869 ' HD2' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -74.6 -41.68 60.01 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.54 -0.541 . . . . 3.16 109.54 179.231 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.886 HG21 HG11 ' A' ' 23' ' ' VAL . 2.3 m -68.75 -44.53 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 N-CA-C 108.309 -0.997 . . . . 2.68 108.309 177.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.546 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -57.28 -45.28 84.24 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.133 -0.939 . . . . 3.27 109.515 177.637 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.69 -54.81 40.73 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 109.072 -0.714 . . . . 2.9 109.072 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.55 -51.03 51.73 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 113.117 0.784 . . . . 2.89 113.117 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.512 ' HB3' HG12 ' A' ' 9' ' ' VAL . 15.1 ptp -64.85 -32.07 73.59 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.842 -0.343 . . . . 2.88 110.279 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.87 -44.91 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 3.6 111.067 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.41 -43.14 74.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.818 -0.628 . . . . 4.09 110.729 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -81.22 0.09 38.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.986 -0.552 . . . . 4.07 110.926 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 3.9 t30 . . . . . 0 N--CA 1.474 0.754 0 O-C-N 123.708 0.63 . . . . 4.18 110.624 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.439 -0.995 0 N-CA-C 104.578 -2.379 . . . . 3.24 104.578 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.793 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -60.03 -20.63 58.89 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.279 -1.368 . . . . 2.75 110.381 -178.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.81 -33.93 76.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.78 -1.1 . . . . 4.42 110.159 177.249 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' B' ' 5' ' ' THR . 1.7 m-20 -65.4 -46.3 80.59 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.642 -1.163 . . . . 3.77 109.921 -178.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.507 HG11 ' HE1' ' B' ' 42' ' ' MET . 95.9 t -67.84 -42.08 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 114.732 -1.122 . . . . 2.69 109.323 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.521 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -58.19 -46.2 86.22 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.216 -1.356 . . . . 3.33 111.273 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -49.99 65.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.481 0.658 . . . . 5.21 109.478 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.868 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 35.6 t80 -60.09 -28.83 68.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.956 -1.02 . . . . 3.88 111.587 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.464 ' HB2' HG23 ' B' ' 15' ' ' VAL . . . -84.97 -26.12 27.33 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.509 0.671 . . . . 2.94 109.562 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.49 31.77 15.3 Favored Glycine 0 CA--C 1.497 -1.08 0 CA-C-N 114.697 -1.138 . . . . 3.68 111.242 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.672 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.0 m -139.68 149.15 22.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 114.563 -0.819 . . . . 3.67 111.303 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.574 ' HB2' ' HG1' ' B' ' 19' ' ' THR . 5.6 m -47.82 156.77 0.31 Allowed 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.111 0.481 . . . . 4.41 110.891 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.793 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 65.6 t80 -54.98 -56.83 15.38 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.092 -0.958 . . . . 3.82 109.591 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.802 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.285 0.0 OUTLIER -76.79 11.04 1.87 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 118.367 -1.333 . . . . 5.51 113.538 177.631 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.672 HG21 ' HB ' ' B' ' 15' ' ' VAL . 27.0 m -72.26 -60.14 2.38 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 102.689 -3.078 . . . . 4.01 102.689 172.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.793 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.0 OUTLIER -77.25 -33.58 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.132 0 CA-C-N 111.697 -2.502 . . . . 2.96 112.252 178.077 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.802 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 17.9 t -62.93 -33.97 76.47 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.454 -0.943 . . . . 3.31 108.454 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.509 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 2.5 ttm180 -69.54 -30.78 68.67 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.498 -1.297 . . . . 5.7 107.498 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.849 HG11 HG22 ' B' ' 38' ' ' VAL . 72.3 t -65.19 -51.42 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.3 -1.318 . . . . 3.44 108.209 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 CA--C 1.537 0.478 0 CA-C-N 115.344 -0.844 . . . . 3.12 111.291 177.907 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 51.8 mtm180 . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 121.22 0.533 . . . . 4.15 109.976 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -68.06 -32.42 72.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.138 -0.937 . . . . 2.94 110.323 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -71.45 -47.13 57.69 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.93 -0.577 . . . . 3.51 110.561 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.849 HG22 HG11 ' B' ' 23' ' ' VAL . 3.0 m -66.74 -43.56 89.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.439 -0.578 . . . . 2.65 109.439 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.9 mt-10 -60.13 -43.73 95.45 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.842 -0.617 . . . . 3.0 109.456 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.607 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.75 -51.88 65.39 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.012 -0.736 . . . . 2.67 109.012 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.868 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.04 -51.39 57.76 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.985 0.735 . . . . 2.68 112.985 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.525 ' HB3' ' HE1' ' B' ' 42' ' ' MET . 16.1 ptp -64.99 -31.76 73.15 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.233 -0.284 . . . . 2.74 110.233 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 -45.7 63.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.872 0.368 . . . . 3.43 111.282 -178.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 41.1 mm-40 -66.26 -44.61 83.18 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.921 -0.582 . . . . 3.81 110.841 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.4 mt . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.309 -0.859 . . . . 3.86 110.849 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.9 p . . . . . 0 CA--C 1.504 -0.824 0 N-CA-C 107.416 -1.327 . . . . 3.76 107.416 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.657 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.5 mt -59.53 -24.5 63.73 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.435 -0.906 . . . . 2.85 110.611 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -65.32 -37.52 87.36 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.784 0.802 . . . . 4.61 110.054 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.04 -45.31 85.92 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.076 -1.42 . . . . 4.13 109.913 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.54 HG13 ' HE1' ' A' ' 42' ' ' MET . 93.4 t -68.65 -42.06 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 CA-C-N 115.608 -0.724 . . . . 2.91 109.179 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.492 ' HA ' HG12 ' A' ' 20' ' ' VAL . . . -57.39 -46.85 82.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.628 -1.169 . . . . 3.39 111.258 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.6 -49.79 61.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.743 -0.662 . . . . 5.24 109.666 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.847 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.1 t80 -61.72 -27.65 68.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.138 -0.937 . . . . 4.13 111.549 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.57 -27.41 27.3 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.572 0.701 . . . . 2.89 109.77 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.3 35.52 8.72 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 114.792 -1.095 . . . . 3.45 110.863 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.542 HG23 HG13 ' A' ' 38' ' ' VAL . 3.8 m -139.35 146.06 26.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 114.416 -0.892 . . . . 3.39 110.378 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 19' ' ' THR . 78.7 p -57.16 145.77 30.22 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.284 -0.567 . . . . 4.52 109.998 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.657 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 84.7 t80 -46.53 -51.26 15.83 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.038 -0.983 . . . . 3.95 112.968 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -20.13 65.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.103 -0.499 . . . . 5.71 111.904 -178.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 23' ' ' VAL . 77.8 m -68.93 -61.28 1.86 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.826 -0.435 . . . . 3.86 109.826 178.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.521 ' CG1' HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -68.75 -29.01 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 3.01 111.501 -179.482 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -56.98 -45.32 83.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.733 -0.469 . . . . 3.29 109.733 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.28 -29.46 66.23 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.275 -0.639 . . . . 4.68 109.275 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.136 HG11 HG23 ' A' ' 38' ' ' VAL . 53.7 t -65.95 -49.91 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 114.811 -1.086 . . . . 3.04 109.718 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.11 -0.95 . . . . 2.72 111.56 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.688 ' O ' HG12 ' A' ' 38' ' ' VAL . 4.4 m . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 111.754 0.279 . . . . 3.04 111.754 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -65.02 -37.37 87.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.708 -0.478 . . . . 4.53 109.708 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -66.66 -34.16 77.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.57 -0.741 . . . . 3.55 109.726 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -73.1 -47.69 42.18 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.496 -0.775 . . . . 3.16 110.541 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.136 HG23 HG11 ' A' ' 23' ' ' VAL . 2.8 m -63.87 -46.4 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 109.179 -0.674 . . . . 2.68 109.179 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.469 ' N ' HG21 ' A' ' 38' ' ' VAL . 16.1 mt-10 -58.66 -48.59 80.54 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.468 -0.787 . . . . 3.27 109.81 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.625 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -58.98 -54.21 49.69 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.39 -0.596 . . . . 2.9 109.39 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.847 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.6 -52.17 49.71 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 113.421 0.897 . . . . 2.89 113.421 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.54 ' HE1' HG13 ' A' ' 9' ' ' VAL . 17.6 ptp -65.84 -32.54 74.12 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.511 -0.476 . . . . 2.88 110.308 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.83 -44.02 67.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 3.6 111.227 -178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.625 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.2 mm-40 -68.27 -44.21 76.05 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.818 -0.628 . . . . 4.09 110.577 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.6 mt -80.48 0.25 34.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.578 -0.737 . . . . 4.07 110.691 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 6.3 t30 . . . . . 0 N--CA 1.473 0.68 0 O-C-N 123.722 0.639 . . . . 4.18 110.164 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 105.916 -1.883 . . . . 3.24 105.916 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.848 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.1 mt -60.11 -21.87 62.08 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.187 -1.405 . . . . 2.75 109.922 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -36.16 83.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.761 -1.109 . . . . 4.42 109.962 177.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' B' ' 5' ' ' THR . 4.9 m-20 -65.45 -44.04 88.52 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.429 -1.26 . . . . 3.77 109.867 -178.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.524 HG11 ' HE3' ' B' ' 42' ' ' MET . 96.0 t -67.29 -41.6 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 115.192 -0.913 . . . . 2.69 109.254 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' B' ' 17' ' ' TYR . . . -60.15 -46.33 90.04 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.189 -1.369 . . . . 3.33 111.444 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -65.03 -49.37 70.42 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.193 -0.669 . . . . 5.21 109.193 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.779 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 45.2 t80 -60.4 -28.12 67.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.828 -1.078 . . . . 3.88 111.477 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.488 ' HB3' HG23 ' B' ' 15' ' ' VAL . . . -86.16 -26.09 25.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.743 0.782 . . . . 2.94 109.562 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.64 31.98 16.95 Favored Glycine 0 CA--C 1.5 -0.869 0 CA-C-N 114.582 -1.19 . . . . 3.68 111.253 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.71 ' HB ' HG23 ' B' ' 19' ' ' THR . 16.9 m -139.98 150.61 21.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.212 -0.994 . . . . 3.67 111.836 -176.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -50.75 151.31 2.47 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.439 0.638 . . . . 4.41 110.591 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.848 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.9 t80 -47.91 -58.44 4.39 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.315 -0.857 . . . . 3.82 110.666 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.882 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.4 11.58 0.95 Allowed 'General case' 0 C--O 1.245 0.82 0 N-CA-C 113.969 1.099 . . . . 5.51 113.969 -179.106 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.71 HG23 ' HB ' ' B' ' 15' ' ' VAL . 98.9 m -77.51 -63.04 1.47 Allowed 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 102.066 -3.309 . . . . 4.01 102.066 173.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.999 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.8 OUTLIER -75.63 -30.54 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 112.586 -2.097 . . . . 2.96 112.056 176.66 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.882 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 8.6 t -63.69 -37.11 86.12 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.019 -0.734 . . . . 3.31 109.019 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -68.34 -28.31 67.03 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 107.595 -1.261 . . . . 5.7 107.595 178.313 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.776 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 69.8 t -65.12 -51.03 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.925 0 CA-C-N 114.429 -1.259 . . . . 3.44 108.564 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 CA--C 1.535 0.392 0 CA-C-N 115.295 -0.866 . . . . 3.12 111.446 177.776 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.433 ' HA ' HG23 ' B' ' 38' ' ' VAL . 16.5 mtm180 . . . . . 0 CA--C 1.513 -0.448 0 CA-C-O 120.98 0.419 . . . . 4.15 110.702 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -66.08 -40.04 90.51 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.476 -0.784 . . . . 2.94 111.39 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.419 ' HA ' ' HB2' ' B' ' 40' ' ' ALA . 6.4 pttt -82.07 -35.96 28.13 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 119.742 -0.783 . . . . 3.51 111.995 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.999 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 4.4 m -65.25 -46.97 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 109.043 -0.725 . . . . 2.65 109.043 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.541 ' N ' HG22 ' B' ' 38' ' ' VAL . 11.6 mt-10 -63.39 -37.16 86.21 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.054 -0.721 . . . . 3.0 109.054 177.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' B' ' 37' ' ' LYS . . . -60.31 -56.11 25.43 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.086 -1.079 . . . . 2.67 108.086 176.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.779 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.25 -51.22 46.43 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.498 -0.773 . . . . 2.68 112.861 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.525 ' HE3' ' HB3' ' B' ' 42' ' ' MET . 17.1 ptp -64.62 -32.69 74.45 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.577 -0.449 . . . . 2.74 110.265 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.31 -45.86 62.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 3.43 111.119 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -41.75 88.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.838 -0.619 . . . . 3.81 110.177 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.3 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.588 -0.733 . . . . 3.86 110.585 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.438 -1.03 0 N-CA-C 105.975 -1.861 . . . . 3.76 105.975 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.661 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.8 mt -58.29 -24.26 58.96 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 119.144 -1.023 . . . . 2.85 111.687 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -64.63 -35.86 82.38 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.73 0.776 . . . . 4.61 110.553 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -66.12 -46.53 77.24 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 114.469 -1.241 . . . . 4.13 110.408 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.516 HG11 ' HE2' ' A' ' 42' ' ' MET . 95.2 t -67.85 -41.25 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 CA-C-N 115.514 -0.766 . . . . 2.91 109.368 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.74 -46.4 84.53 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.666 -1.152 . . . . 3.39 111.32 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -49.96 57.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.929 -0.578 . . . . 5.24 109.714 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.833 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 49.7 t80 -61.34 -27.96 68.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.156 -0.929 . . . . 4.13 111.673 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.68 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -84.03 -28.51 27.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.621 0.724 . . . . 2.89 109.749 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.3 36.4 7.56 Favored Glycine 0 N--CA 1.44 -1.059 0 N-CA-C 110.563 -1.015 . . . . 3.45 110.563 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.604 ' CG1' ' HD3' ' A' ' 37' ' ' LYS . 2.2 m -140.61 147.1 23.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.368 -0.916 . . . . 3.39 110.657 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 m -56.01 150.08 14.28 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.652 0.739 . . . . 4.52 110.406 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.661 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 78.3 t80 -52.63 -50.2 63.6 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 114.393 -1.276 . . . . 3.95 111.657 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -21.76 64.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.387 -0.824 . . . . 5.71 111.76 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.5 m -70.15 -61.86 1.61 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.776 0.322 . . . . 3.86 110.504 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.526 HG11 ' HA ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -69.13 -29.34 42.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.045 -0.525 . . . . 3.01 111.831 -179.159 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 t -58.7 -42.63 89.07 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.341 -0.615 . . . . 3.29 109.341 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -29.9 67.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.014 -0.735 . . . . 4.68 109.014 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.002 HG13 HG23 ' A' ' 38' ' ' VAL . 76.8 t -66.47 -49.55 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.725 -1.125 . . . . 3.04 110.176 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.019 -0.991 . . . . 2.72 111.609 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.988 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 55.3 m . . . . . 0 N--CA 1.442 -0.859 0 N-CA-C 112.426 0.528 . . . . 3.04 112.426 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 mtm-85 -64.89 -39.55 93.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.402 0.62 . . . . 4.53 109.764 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.06 -30.82 70.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.816 -1.084 . . . . 3.55 110.497 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.988 ' HD2' ' HA ' ' A' ' 34' ' ' THR . 1.6 ptmt -80.67 -39.74 26.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.567 -0.288 . . . . 3.16 110.453 -178.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.002 HG23 HG13 ' A' ' 23' ' ' VAL . 3.6 m -66.71 -47.43 83.09 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 N-CA-C 108.773 -0.825 . . . . 2.68 108.773 178.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.497 ' N ' HG21 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -61.72 -40.33 94.67 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.948 -0.569 . . . . 3.27 109.838 178.192 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.631 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -62.15 -53.82 49.85 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.914 -0.773 . . . . 2.9 108.914 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.833 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.74 -51.46 56.04 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.826 -0.624 . . . . 2.89 112.596 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.516 ' HE2' HG11 ' A' ' 9' ' ' VAL . 17.2 ptp -64.8 -31.86 73.29 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 120.8 -0.36 . . . . 2.88 110.204 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.24 66.66 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.0 0.429 . . . . 3.6 111.222 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.631 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 14.6 mm-40 -69.15 -44.77 71.6 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.944 -0.571 . . . . 4.09 110.57 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -80.55 -1.09 40.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.536 -0.756 . . . . 4.07 109.975 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 t30 . . . . . 0 N--CA 1.468 0.433 0 C-N-CA 124.138 0.975 . . . . 4.18 111.398 -179.812 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -0.978 0 N-CA-C 106.763 -1.569 . . . . 3.24 106.763 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.86 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.5 mt -59.67 -22.7 62.31 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 118.705 -1.198 . . . . 2.75 110.077 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.502 ' HE1' ' HB2' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -65.39 -36.3 83.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.85 -1.068 . . . . 4.42 109.965 176.692 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' B' ' 5' ' ' THR . 4.6 m-20 -65.9 -43.39 88.37 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.455 -1.248 . . . . 3.77 109.584 -178.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.5 HG12 ' HE3' ' B' ' 42' ' ' MET . 76.1 t -68.61 -42.74 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-O 121.772 0.796 . . . . 2.69 109.075 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.447 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -57.48 -46.42 83.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.241 -1.345 . . . . 3.33 111.819 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.27 -48.56 67.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.243 -0.651 . . . . 5.21 109.243 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.813 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.2 t80 -59.75 -28.66 67.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.996 -1.002 . . . . 3.88 111.302 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.473 ' HB3' HG21 ' B' ' 15' ' ' VAL . . . -85.01 -26.91 26.77 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.461 0.648 . . . . 2.94 109.277 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.56 31.11 16.81 Favored Glycine 0 CA--C 1.498 -1.018 0 CA-C-N 114.764 -1.107 . . . . 3.68 111.263 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.656 ' HB ' HG21 ' B' ' 19' ' ' THR . 13.3 m -139.14 149.78 23.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.461 -0.87 . . . . 3.67 110.334 -177.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.68 158.92 0.41 Allowed 'General case' 0 C--O 1.25 1.089 0 CA-C-O 121.661 0.744 . . . . 4.41 109.762 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.86 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 71.1 t80 -53.25 -60.25 3.54 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-N 114.993 -1.003 . . . . 3.82 110.11 -178.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.692 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -75.73 13.89 0.74 Allowed 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 114.642 1.349 . . . . 5.51 114.642 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.656 HG21 ' HB ' ' B' ' 15' ' ' VAL . 90.1 m -77.69 -59.32 2.83 Favored 'General case' 0 CA--C 1.49 -1.342 1 N-CA-C 99.851 -4.129 . . . . 4.01 99.851 171.316 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.807 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 0.5 OUTLIER -76.31 -33.72 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 112.957 -1.929 . . . . 2.96 113.206 176.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.692 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 33.1 t -64.95 -36.35 84.1 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.707 -1.245 . . . . 3.31 109.563 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 2.7 ttm180 -63.47 -33.6 75.91 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 106.927 -1.509 . . . . 5.7 106.927 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.881 HG12 HG22 ' B' ' 38' ' ' VAL . 54.8 t -65.31 -51.76 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 113.759 -1.564 . . . . 3.44 109.533 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 114.751 -1.113 . . . . 3.12 112.442 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.422 ' HA ' HG21 ' B' ' 38' ' ' VAL . 70.0 mtm180 . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 120.892 0.377 . . . . 4.15 110.294 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.14 -34.21 77.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.618 -0.719 . . . . 2.94 109.912 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -76.16 -44.39 38.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.984 -0.553 . . . . 3.51 111.207 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.881 HG22 HG12 ' B' ' 23' ' ' VAL . 3.5 m -67.19 -46.34 84.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 110.117 -0.327 . . . . 2.65 110.117 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.499 ' N ' HG23 ' B' ' 38' ' ' VAL . 18.0 mt-10 -62.69 -37.88 88.2 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.507 -0.553 . . . . 3.0 109.507 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.582 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -63.24 -54.04 43.49 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 108.418 -0.956 . . . . 2.67 108.418 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.813 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.43 -51.43 54.9 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.43 -0.804 . . . . 2.68 112.794 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.505 ' HE3' ' HB3' ' B' ' 42' ' ' MET . 16.7 ptp -65.05 -33.08 75.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.75 0.309 . . . . 2.74 110.278 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.85 -43.07 69.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.908 0.385 . . . . 3.43 111.059 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 7.4 mm-40 -67.74 -43.27 80.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.87 -0.605 . . . . 3.81 110.931 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.7 mt . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.768 -0.651 . . . . 3.86 110.902 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.775 0 N-CA-C 105.898 -1.89 . . . . 3.76 105.898 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 3.7 mt -57.79 -23.43 52.38 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.856 -0.738 . . . . 2.85 111.715 -178.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -64.57 -38.7 91.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.864 0.84 . . . . 4.61 110.293 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -65.72 -44.34 86.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.062 -1.426 . . . . 4.13 109.819 -177.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.508 HG13 ' HE3' ' A' ' 42' ' ' MET . 89.5 t -68.62 -42.98 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 CA-C-O 121.537 0.684 . . . . 2.91 109.41 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.523 ' HA ' HG12 ' A' ' 20' ' ' VAL . . . -57.06 -47.77 80.17 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.497 -1.229 . . . . 3.39 111.529 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.48 -47.9 68.7 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.836 -0.62 . . . . 5.24 109.643 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.768 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 55.6 t80 -62.29 -28.32 69.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.298 -0.865 . . . . 4.13 111.679 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.436 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -83.06 -27.52 30.21 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.774 0.797 . . . . 2.89 109.736 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.91 34.12 9.22 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 114.577 -1.192 . . . . 3.45 110.909 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.702 HG12 HG23 ' A' ' 34' ' ' THR . 4.1 m -139.29 147.04 24.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 114.261 -0.97 . . . . 3.39 110.178 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -55.45 149.38 13.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.766 0.793 . . . . 4.52 110.722 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 65.5 t80 -51.58 -51.18 57.62 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.336 -1.302 . . . . 3.95 112.2 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HB2' HH21 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -62.02 -22.75 65.96 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.981 -1.009 . . . . 5.71 111.989 -179.145 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.2 m -69.93 -60.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.339 0.256 . . . . 3.86 110.864 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.637 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 1.3 m -67.98 -28.52 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.414 -0.357 . . . . 3.01 111.712 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.5 t -54.97 -45.04 74.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.508 -0.553 . . . . 3.29 109.508 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.429 HH21 ' HB2' ' A' ' 18' ' ' GLN . 10.6 mtt180 -70.28 -27.84 64.73 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.801 -0.636 . . . . 4.68 109.954 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.908 HG12 HG21 ' A' ' 38' ' ' VAL . 77.1 t -63.02 -48.9 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 115.333 -0.848 . . . . 3.04 109.553 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t . . . . . 0 CA--C 1.535 0.371 0 CA-C-O 121.527 0.679 . . . . 2.72 109.815 178.143 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.728 ' O ' HG11 ' A' ' 38' ' ' VAL . 32.7 m . . . . . 0 N--CA 1.444 -0.727 0 N-CA-C 111.855 0.317 . . . . 3.04 111.855 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 38' ' ' VAL . 7.0 mtm180 -61.67 -42.23 98.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.095 0.474 . . . . 4.53 110.326 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.79 -30.07 70.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.186 -0.916 . . . . 3.55 109.322 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -73.92 -46.2 45.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.819 -0.628 . . . . 3.16 110.083 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.908 HG21 HG12 ' A' ' 23' ' ' VAL . 1.9 m -65.35 -46.35 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 109.286 -0.635 . . . . 2.68 109.286 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -59.78 -40.93 89.9 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.271 -0.64 . . . . 3.27 109.271 178.027 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.89 -56.3 22.75 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 108.601 -0.888 . . . . 2.9 108.601 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.768 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.53 -51.08 51.03 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 112.798 0.666 . . . . 2.89 112.798 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.508 ' HE3' HG13 ' A' ' 9' ' ' VAL . 15.4 ptp -64.9 -32.16 73.74 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.825 -0.35 . . . . 2.88 110.412 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.3 -45.34 63.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 3.6 110.817 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.71 -42.77 81.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.703 -0.68 . . . . 4.09 110.41 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.4 mt -80.59 0.08 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.701 -0.681 . . . . 4.07 110.482 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 123.331 0.652 . . . . 4.18 111.008 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.437 -1.093 0 N-CA-C 105.909 -1.886 . . . . 3.24 105.909 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.626 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.5 mt -59.24 -21.64 59.87 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.139 -1.025 . . . . 2.75 110.251 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.629 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -64.3 -37.84 88.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.84 -1.073 . . . . 4.42 109.34 177.065 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' B' ' 5' ' ' THR . 2.3 m-20 -66.44 -42.35 87.8 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.324 -1.307 . . . . 3.77 109.87 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.575 HG12 ' HE2' ' B' ' 42' ' ' MET . 73.0 t -67.86 -44.16 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 115.344 -0.844 . . . . 2.69 108.78 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.466 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.0 -46.19 85.62 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.068 -1.424 . . . . 3.33 111.368 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -63.71 -49.53 72.71 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.264 -0.643 . . . . 5.21 109.264 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.808 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.4 t80 -61.44 -27.28 68.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.874 -1.057 . . . . 3.88 111.19 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.469 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -85.9 -27.15 25.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.436 0.636 . . . . 2.94 109.413 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.15 33.34 10.83 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 114.747 -1.115 . . . . 3.68 111.553 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.622 ' HB ' HG23 ' B' ' 19' ' ' THR . 9.5 m -142.24 151.13 18.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 118.781 -0.628 . . . . 3.67 111.726 -176.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' B' ' 19' ' ' THR . 26.5 p -54.63 160.53 1.79 Allowed 'General case' 0 C--N 1.346 0.456 0 CA-C-O 121.972 0.891 . . . . 4.41 111.495 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.629 ' HB2' ' CE1' ' B' ' 7' ' ' TYR . 69.3 t80 -52.25 -58.41 6.71 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 114.432 -1.258 . . . . 3.82 109.408 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.601 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 1.5 tp-100 -73.81 5.95 3.66 Favored 'General case' 0 N--CA 1.432 -1.338 0 O-C-N 123.902 0.751 . . . . 5.51 111.64 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.622 HG23 ' HB ' ' B' ' 15' ' ' VAL . 19.3 m -71.69 -63.24 1.17 Allowed 'General case' 0 C--N 1.303 -1.452 1 N-CA-C 99.68 -4.193 . . . . 4.01 99.68 169.516 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.796 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.7 OUTLIER -77.3 -32.83 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 N-CA-C 116.42 2.007 . . . . 2.96 116.42 179.241 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.601 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 12.1 t -62.45 -32.6 73.5 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.519 -0.919 . . . . 3.31 108.519 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -68.3 -30.71 69.77 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.055 -1.461 . . . . 5.7 107.055 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.736 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 92.7 t -65.48 -51.17 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.194 0 CA-C-N 114.042 -1.435 . . . . 3.44 108.24 177.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 CA--C 1.538 0.489 0 CA-C-N 114.845 -1.07 . . . . 3.12 112.381 178.343 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.496 ' HA ' HG21 ' B' ' 38' ' ' VAL . 25.8 mtm-85 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.905 0.383 . . . . 4.15 111.174 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -65.64 -33.3 75.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.678 -0.692 . . . . 2.94 111.151 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -80.38 -43.64 20.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.34 -0.391 . . . . 3.51 110.76 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.796 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.5 m -68.59 -46.89 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 2.65 110.673 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.523 ' N ' HG23 ' B' ' 38' ' ' VAL . 19.3 mt-10 -62.53 -37.48 86.23 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.098 -0.704 . . . . 3.0 109.098 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.611 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.73 -53.03 60.58 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.587 -0.894 . . . . 2.67 108.587 177.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.808 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.79 -51.92 52.84 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 113.042 0.756 . . . . 2.68 113.042 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.575 ' HE2' HG12 ' B' ' 9' ' ' VAL . 16.7 ptp -64.4 -32.1 73.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.598 0.237 . . . . 2.74 110.413 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.78 -44.39 66.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.427 -0.352 . . . . 3.43 111.199 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 5.0 mm-40 -66.68 -44.04 82.83 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.35 0.595 . . . . 3.81 110.452 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.439 -0.8 . . . . 3.86 109.937 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 CA--C 1.502 -0.885 0 N-CA-C 106.761 -1.57 . . . . 3.76 106.761 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.623 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.5 mt -59.79 -24.4 64.09 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 119.427 -0.909 . . . . 2.85 110.889 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -65.08 -38.61 91.33 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.35 -0.841 . . . . 4.61 110.465 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -64.86 -45.99 83.74 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 114.107 -1.406 . . . . 4.13 110.245 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.492 HG12 ' HE1' ' A' ' 42' ' ' MET . 94.4 t -68.39 -40.67 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-O 121.504 0.669 . . . . 2.91 109.405 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.77 -48.35 79.91 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.541 -1.209 . . . . 3.39 111.338 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -66.81 -49.66 65.08 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.803 -0.635 . . . . 5.24 109.563 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.803 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 58.6 t80 -61.54 -27.53 68.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.036 -0.983 . . . . 4.13 111.75 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.444 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -83.81 -26.95 29.14 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.693 0.759 . . . . 2.89 109.608 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.67 34.05 9.55 Favored Glycine 0 N--CA 1.437 -1.281 0 CA-C-N 114.576 -1.193 . . . . 3.45 110.768 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 38' ' ' VAL . 4.4 m -138.72 145.52 27.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.379 -0.91 . . . . 3.39 109.867 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 m -55.93 147.52 19.34 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.506 0.669 . . . . 4.52 110.441 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.623 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 76.7 t80 -49.92 -50.54 45.94 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.717 -1.129 . . . . 3.95 111.736 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.76 -25.3 64.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.215 -0.902 . . . . 5.71 111.832 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.491 ' O ' HG21 ' A' ' 23' ' ' VAL . 7.0 m -68.7 -61.38 1.84 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.431 -0.35 . . . . 3.86 110.573 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.568 ' HB ' ' CG1' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -68.89 -29.47 43.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.166 -0.47 . . . . 3.01 111.498 -179.386 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.416 ' HA ' HD13 ' A' ' 6' ' ' LEU . 48.3 t -59.22 -40.96 87.46 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.046 -0.724 . . . . 3.29 109.046 177.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -30.4 67.45 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.379 -0.828 . . . . 4.68 108.82 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.013 HG13 HG23 ' A' ' 38' ' ' VAL . 53.8 t -67.59 -51.03 55.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.807 -1.088 . . . . 3.04 110.983 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.179 -0.918 . . . . 2.72 111.956 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.699 ' O ' HG11 ' A' ' 38' ' ' VAL . 9.5 m . . . . . 0 N--CA 1.44 -0.929 0 N-CA-C 111.318 0.118 . . . . 3.04 111.318 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' O ' HG22 ' A' ' 38' ' ' VAL . 22.4 mtm180 -65.54 -37.84 87.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.377 0.608 . . . . 4.53 109.433 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -68.37 -30.29 69.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.096 -0.956 . . . . 3.55 110.324 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -76.08 -45.91 31.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 3.16 110.171 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.013 HG23 HG13 ' A' ' 23' ' ' VAL . 3.1 m -62.71 -44.59 99.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 108.791 -0.818 . . . . 2.68 108.791 178.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' N ' HG21 ' A' ' 38' ' ' VAL . 1.5 mt-10 -62.26 -43.22 99.33 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.528 -0.76 . . . . 3.27 110.119 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.09 62.03 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.781 -0.822 . . . . 2.9 108.781 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -53.06 -51.45 61.73 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.235 -0.893 . . . . 2.89 112.779 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.519 ' HE1' ' HB3' ' A' ' 42' ' ' MET . 16.0 ptp -64.53 -31.84 73.23 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.882 -0.327 . . . . 2.88 110.41 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.54 -43.38 69.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.016 0.436 . . . . 3.6 110.934 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.543 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 12.2 mm-40 -69.22 -44.01 72.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.802 -0.635 . . . . 4.09 110.741 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.2 mt -80.94 0.53 34.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.535 -0.757 . . . . 4.07 110.814 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 8.1 t30 . . . . . 0 N--CA 1.471 0.59 0 C-N-CA 123.402 0.681 . . . . 4.18 110.605 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 N--CA 1.437 -1.097 0 N-CA-C 104.951 -2.24 . . . . 3.24 104.951 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.662 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.5 mt -60.42 -20.58 60.23 Favored 'General case' 0 C--N 1.307 -1.256 0 C-N-CA 119.003 -1.079 . . . . 2.75 109.78 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.638 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -64.17 -36.53 84.35 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.995 -1.002 . . . . 4.42 110.127 177.456 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.97 -44.69 88.53 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 114.738 -1.119 . . . . 3.77 109.447 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.548 HG13 ' HE2' ' B' ' 42' ' ' MET . 72.9 t -67.84 -41.83 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 CA-C-N 114.985 -1.007 . . . . 2.69 108.9 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.518 ' HA ' HG12 ' B' ' 20' ' ' VAL . . . -57.48 -48.08 80.16 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.027 -1.442 . . . . 3.33 111.665 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.15 -49.14 73.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.63 0.729 . . . . 5.21 109.218 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.778 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 43.2 t80 -60.82 -28.82 69.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.558 -1.201 . . . . 3.88 111.589 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.38 -25.14 27.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.622 0.725 . . . . 2.94 109.337 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.36 31.46 13.79 Favored Glycine 0 CA--C 1.501 -0.798 0 CA-C-N 114.366 -1.288 . . . . 3.68 111.809 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.604 HG22 HG11 ' B' ' 20' ' ' VAL . 6.6 m -139.85 151.8 22.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.784 -0.708 . . . . 3.67 111.578 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 27.2 p -53.21 160.98 0.97 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.399 0.545 . . . . 4.41 110.063 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.662 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 69.8 t80 -52.1 -59.44 4.37 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.074 -0.966 . . . . 3.82 109.689 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.782 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -73.09 13.06 0.45 Allowed 'General case' 0 C--O 1.245 0.858 0 CA-C-N 114.824 -1.08 . . . . 5.51 113.369 178.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.571 HG23 ' HB ' ' B' ' 15' ' ' VAL . 55.2 m -79.07 -61.6 1.96 Allowed 'General case' 0 N--CA 1.398 -3.047 0 N-CA-C 100.695 -3.817 . . . . 4.01 100.695 170.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.922 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -77.05 -33.14 20.09 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 CA-C-N 112.019 -2.355 . . . . 2.96 113.08 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.782 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 66.1 m -63.13 -35.32 79.88 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 120.693 -1.254 . . . . 3.31 109.175 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.53 -31.74 72.65 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.852 -1.166 . . . . 5.7 107.852 177.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.858 HG13 HG22 ' B' ' 38' ' ' VAL . 65.9 t -66.11 -51.63 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 114.013 -1.449 . . . . 3.44 109.135 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.44 ' CG2' ' HE3' ' B' ' 42' ' ' MET . 30.6 t . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 114.712 -1.131 . . . . 3.12 112.219 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 25.3 mtm180 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.876 0.369 . . . . 4.15 110.717 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.05 -34.7 78.26 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.43 -0.805 . . . . 2.94 111.331 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -77.21 -42.57 36.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.184 -0.462 . . . . 3.51 111.072 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.922 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -68.73 -45.26 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.798 -0.445 . . . . 2.65 109.798 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.551 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.7 OUTLIER -58.99 -39.44 81.81 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.315 -0.624 . . . . 3.0 109.315 177.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.64 -54.98 27.27 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.168 -0.678 . . . . 2.67 109.168 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.778 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.95 -51.03 56.52 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.482 -0.781 . . . . 2.68 112.853 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.548 ' HE2' HG13 ' B' ' 9' ' ' VAL . 16.6 ptp -64.54 -32.15 73.67 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 121.187 -0.205 . . . . 2.74 110.673 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.63 -43.32 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 3.43 110.911 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.45 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -68.21 -43.85 77.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.746 -0.661 . . . . 3.81 110.792 -179.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.5 mt . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.532 -0.758 . . . . 3.86 110.973 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 p . . . . . 0 CA--C 1.502 -0.867 0 N-CA-C 107.402 -1.332 . . . . 3.76 107.402 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.627 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 3.3 mt -59.92 -25.64 65.31 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.185 -1.006 . . . . 2.85 111.165 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -65.52 -37.46 86.84 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.99 0.9 . . . . 4.61 110.158 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -65.2 -45.16 85.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.805 -1.543 . . . . 4.13 110.456 -177.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.513 HG11 ' HE2' ' A' ' 42' ' ' MET . 91.7 t -68.78 -41.61 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 N-CA-C 109.112 -0.699 . . . . 2.91 109.112 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.51 ' HA ' HG12 ' A' ' 20' ' ' VAL . . . -57.49 -46.99 83.09 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.356 -1.293 . . . . 3.39 111.63 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -67.71 -48.97 65.01 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.887 -0.597 . . . . 5.24 109.729 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.767 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.8 t80 -61.22 -30.07 70.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.109 -0.951 . . . . 4.13 111.899 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.461 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -82.13 -27.42 32.79 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.757 0.789 . . . . 2.89 109.781 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.55 34.52 9.25 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 114.611 -1.177 . . . . 3.45 110.707 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.672 HG11 HG23 ' A' ' 34' ' ' THR . 4.7 m -138.65 147.22 25.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 114.314 -0.943 . . . . 3.39 110.39 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.5 m -56.16 150.06 14.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.676 0.75 . . . . 4.52 110.801 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.627 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 73.6 t80 -51.74 -50.62 60.25 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.643 -1.162 . . . . 3.95 112.657 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -20.48 65.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.962 -0.563 . . . . 5.71 111.65 -178.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.0 m -69.07 -62.04 1.54 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.854 0.359 . . . . 3.86 110.361 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.549 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -69.17 -29.05 41.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 3.01 111.289 -179.381 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 t -59.38 -43.97 92.83 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.835 -0.802 . . . . 3.29 108.835 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.532 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -69.19 -27.53 65.59 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.463 -0.789 . . . . 4.68 109.057 179.038 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.131 HG13 HG22 ' A' ' 38' ' ' VAL . 55.5 t -65.92 -48.79 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 114.981 -1.009 . . . . 3.04 109.656 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 121.494 0.664 . . . . 2.72 110.173 179.069 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.675 ' O ' HG11 ' A' ' 38' ' ' VAL . 8.5 m . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 112.202 0.445 . . . . 3.04 112.202 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 18.9 mtm180 -63.65 -37.38 87.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.27 -0.641 . . . . 4.53 109.27 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -67.79 -36.17 79.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.214 -0.903 . . . . 3.55 109.915 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -71.06 -46.27 62.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.746 -0.661 . . . . 3.16 110.977 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.131 HG22 HG13 ' A' ' 23' ' ' VAL . 3.7 m -65.42 -47.03 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.783 -0.451 . . . . 2.68 109.783 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.511 ' N ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.43 -39.85 94.68 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.313 -0.625 . . . . 3.27 109.313 178.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.2 -57.49 12.24 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 108.132 -1.062 . . . . 2.9 108.132 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.767 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.37 -51.2 47.97 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.783 -0.644 . . . . 2.89 112.648 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.516 ' HE2' ' HB3' ' A' ' 42' ' ' MET . 17.0 ptp -64.99 -32.42 74.13 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.59 -0.444 . . . . 2.88 110.272 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.88 -45.64 60.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.986 0.422 . . . . 3.6 111.015 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -66.99 -42.86 84.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.814 -0.63 . . . . 4.09 110.186 -179.514 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.7 mt -81.31 -0.14 39.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 4.07 110.58 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 123.541 0.737 . . . . 4.18 110.692 -179.425 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.552 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.441 -0.915 0 N-CA-C 106.914 -1.513 . . . . 3.24 106.914 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.753 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.7 mt -59.84 -23.7 63.58 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 118.81 -1.156 . . . . 2.75 109.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -36.4 83.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.578 -1.192 . . . . 4.42 109.297 176.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.552 ' HB2' ' O ' ' B' ' 5' ' ' THR . 0.7 OUTLIER -65.79 -44.1 86.72 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 113.787 -1.552 . . . . 3.77 109.715 -178.245 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.507 HG12 ' HE3' ' B' ' 42' ' ' MET . 84.8 t -68.75 -43.16 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 CA-C-N 115.351 -0.84 . . . . 2.69 108.851 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.481 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.38 -46.88 82.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.23 -1.35 . . . . 3.33 111.413 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.08 -49.63 66.91 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.845 -0.616 . . . . 5.21 109.582 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.856 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 43.9 t80 -60.26 -27.02 66.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.046 -0.979 . . . . 3.88 111.263 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.445 ' HB3' HG23 ' B' ' 15' ' ' VAL . . . -87.77 -27.56 22.25 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.513 0.673 . . . . 2.94 109.52 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.92 34.31 10.1 Favored Glycine 0 CA--C 1.496 -1.103 0 CA-C-N 114.878 -1.056 . . . . 3.68 111.406 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.671 ' HB ' HG22 ' B' ' 19' ' ' THR . 7.0 m -139.67 149.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 114.455 -0.872 . . . . 3.67 110.892 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 2.7 m -48.47 161.73 0.12 Allowed 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.73 0.776 . . . . 4.41 111.04 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.753 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 78.3 t80 -59.78 -65.13 0.73 Allowed 'General case' 0 C--O 1.251 1.146 0 CA-C-O 117.854 -1.07 . . . . 3.82 109.787 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.91 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -64.02 10.54 0.05 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 119.589 -0.844 . . . . 5.51 111.549 171.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.746 HG23 HH21 ' B' ' 22' ' ' ARG . 28.6 m -73.22 -61.15 1.92 Allowed 'General case' 0 N--CA 1.39 -3.433 0 N-CA-C 101.768 -3.419 . . . . 4.01 101.768 170.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.826 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.6 m -76.59 -32.82 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 113.88 -1.509 . . . . 2.96 113.658 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.91 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 41.7 t -61.18 -38.13 85.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.019 0.437 . . . . 3.31 110.654 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.746 HH21 HG23 ' B' ' 19' ' ' THR . 0.0 OUTLIER -65.27 -31.59 72.81 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.213 -1.032 . . . . 5.7 108.213 177.758 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.774 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 54.9 t -65.51 -51.59 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 CA-C-N 114.038 -1.437 . . . . 3.44 108.155 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 N--CA 1.469 0.509 0 CA-C-N 114.682 -1.144 . . . . 3.12 112.573 178.721 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 49.8 mtm-85 . . . . . 0 CA--C 1.518 -0.285 0 CA-C-O 120.955 0.407 . . . . 4.15 110.206 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.52 -29.75 69.91 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.47 -0.786 . . . . 2.94 110.741 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -82.33 -42.93 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.541 . . . . 3.51 110.812 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.826 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.3 m -68.12 -45.09 83.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.769 -0.456 . . . . 2.65 109.769 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.546 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 4.0 mt-10 -60.69 -42.07 96.42 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.273 -0.64 . . . . 3.0 109.273 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.717 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.78 -53.93 49.25 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.904 -0.776 . . . . 2.67 108.904 177.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.856 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.41 -51.67 52.74 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.107 0.78 . . . . 2.68 113.107 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.507 ' HE3' HG12 ' B' ' 9' ' ' VAL . 16.7 ptp -64.45 -33.14 75.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.729 0.299 . . . . 2.74 110.516 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 -42.95 68.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.063 0.459 . . . . 3.43 111.226 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.717 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.7 mm-40 -68.19 -44.08 76.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.806 -0.633 . . . . 3.81 111.112 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 10.7 mt . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.529 -0.76 . . . . 3.86 110.991 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 CA--C 1.501 -0.931 0 N-CA-C 106.872 -1.529 . . . . 3.76 106.872 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.616 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 3.6 mt -59.82 -24.52 64.24 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.464 -0.894 . . . . 2.85 111.127 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.94 -37.39 87.48 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.973 0.892 . . . . 4.61 110.173 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -65.13 -46.04 82.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.792 -1.549 . . . . 4.13 110.058 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.485 HG11 ' CB ' ' A' ' 41' ' ' ALA . 93.0 t -69.15 -41.79 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-O 121.682 0.753 . . . . 2.91 109.501 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.522 ' HA ' HG13 ' A' ' 20' ' ' VAL . . . -57.55 -46.69 83.6 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.536 -1.211 . . . . 3.39 111.622 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.45 -49.36 63.99 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.392 0.615 . . . . 5.24 109.812 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.851 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 48.1 t80 -61.4 -27.38 68.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.764 -1.107 . . . . 4.13 111.739 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -85.07 -28.0 25.93 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.673 0.749 . . . . 2.89 110.026 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.77 35.71 8.24 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 114.932 -1.031 . . . . 3.45 110.808 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.472 HG22 HG11 ' A' ' 38' ' ' VAL . 3.8 m -138.71 146.44 26.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.332 -0.934 . . . . 3.39 109.674 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.8 p -57.0 145.32 30.8 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.888 -0.725 . . . . 4.52 109.994 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.616 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 67.2 t80 -45.84 -50.5 14.18 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.13 -0.941 . . . . 3.95 111.978 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -22.37 65.45 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.846 -1.07 . . . . 5.71 112.41 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.546 ' O ' HG21 ' A' ' 23' ' ' VAL . 89.8 m -69.39 -61.24 1.87 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.977 0.418 . . . . 3.86 110.109 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.522 HG13 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -68.98 -28.95 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.786 -0.643 . . . . 3.01 111.192 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.402 ' HA ' HD11 ' A' ' 6' ' ' LEU . 33.2 t -59.59 -39.79 85.31 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.94 -0.763 . . . . 3.29 108.94 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -31.44 68.69 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.687 -0.857 . . . . 4.68 108.687 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.01 HG11 HG23 ' A' ' 38' ' ' VAL . 70.3 t -66.59 -49.58 73.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.685 -1.143 . . . . 3.04 110.197 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 115.096 -0.957 . . . . 2.72 112.409 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.646 ' O ' HG13 ' A' ' 38' ' ' VAL . 6.5 m . . . . . 0 N--CA 1.445 -0.705 0 CA-C-O 120.55 0.215 . . . . 3.04 111.025 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HA ' HG22 ' A' ' 38' ' ' VAL . 23.8 mtm180 -66.97 -34.38 77.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.299 -0.63 . . . . 4.53 109.299 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.3 -34.56 78.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.643 -0.708 . . . . 3.55 110.104 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -77.03 -45.28 27.73 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.945 -0.57 . . . . 3.16 110.627 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.01 HG23 HG11 ' A' ' 23' ' ' VAL . 3.8 m -63.15 -46.01 97.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.183 -0.673 . . . . 2.68 109.183 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.473 ' N ' HG21 ' A' ' 38' ' ' VAL . 27.1 mt-10 -62.11 -45.42 93.55 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.817 -0.629 . . . . 3.27 110.015 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.695 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -59.27 -54.41 47.16 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 108.734 -0.839 . . . . 2.9 108.734 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.851 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -52.23 -51.77 56.33 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 112.995 0.739 . . . . 2.89 112.995 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.473 ' HE1' ' HB3' ' A' ' 42' ' ' MET . 18.8 ptp -65.3 -32.8 74.64 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.749 -0.38 . . . . 2.88 110.329 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.62 -43.32 69.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 3.6 111.398 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.695 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 3.9 mm-40 -69.13 -44.48 72.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.422 0.63 . . . . 4.09 110.578 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.3 mt -81.13 1.07 33.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.472 -0.786 . . . . 4.07 110.918 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 24.9 t30 . . . . . 0 N--CA 1.471 0.62 0 O-C-N 123.761 0.663 . . . . 4.18 109.932 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.2 p . . . . . 0 CA--C 1.503 -0.857 0 N-CA-C 105.995 -1.854 . . . . 3.24 105.995 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.797 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 0.8 OUTLIER -61.07 -21.0 63.24 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 118.951 -1.099 . . . . 2.75 108.77 177.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -41.38 99.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 113.555 -1.657 . . . . 4.42 110.297 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -65.91 -42.94 89.56 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 114.042 -1.435 . . . . 3.77 110.106 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.511 HG13 ' HE1' ' B' ' 42' ' ' MET . 74.6 t -67.62 -41.25 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 115.085 -0.961 . . . . 2.69 109.33 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' B' ' 17' ' ' TYR . . . -61.25 -47.51 85.72 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.29 -1.323 . . . . 3.33 111.049 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.21 -49.44 74.21 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.513 -0.767 . . . . 5.21 109.332 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.804 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 51.2 t80 -61.68 -28.91 69.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.934 -1.03 . . . . 3.88 111.384 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.462 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -83.05 -25.86 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.582 0.706 . . . . 2.94 109.444 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.51 32.17 14.22 Favored Glycine 0 CA--C 1.503 -0.711 0 CA-C-N 114.565 -1.198 . . . . 3.68 111.164 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.771 ' HB ' HG22 ' B' ' 19' ' ' THR . 15.9 m -140.29 151.91 21.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 114.572 -0.814 . . . . 3.67 111.331 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.49 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.2 m -49.76 158.62 0.46 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.957 0.884 . . . . 4.41 110.719 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.797 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 65.6 t80 -56.18 -58.21 8.92 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 114.971 -1.013 . . . . 3.82 109.856 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.853 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.16 7.06 2.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.803 -1.089 . . . . 5.51 112.718 179.418 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.771 HG22 ' HB ' ' B' ' 15' ' ' VAL . 37.9 m -72.2 -56.92 4.73 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 101.138 -3.653 . . . . 4.01 101.138 173.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.778 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -76.95 -29.73 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 CA-C-N 112.711 -2.041 . . . . 2.96 113.063 176.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.853 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 30.9 m -59.88 -30.97 69.36 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.615 -0.678 . . . . 3.31 109.306 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -64.62 -40.28 95.21 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 106.766 -1.568 . . . . 5.7 106.766 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.75 HG12 HG21 ' B' ' 38' ' ' VAL . 51.3 t -65.58 -51.08 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 113.399 -1.728 . . . . 3.44 110.494 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.351 -0.841 . . . . 3.12 112.014 179.617 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 22.0 mtt180 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 111.685 0.254 . . . . 4.15 111.685 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -32.71 72.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.548 0.213 . . . . 2.94 111.573 -178.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -70.44 -47.38 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.999 0.428 . . . . 3.51 110.26 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.778 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -69.15 -42.83 81.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.763 -0.653 . . . . 2.65 110.02 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.9 OUTLIER -59.63 -40.36 87.33 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.266 -0.642 . . . . 3.0 109.266 177.697 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.56 -51.75 67.26 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.891 -0.781 . . . . 2.67 108.891 177.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.804 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -54.2 -51.71 63.55 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.392 -0.822 . . . . 2.68 112.963 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.52 ' HE1' ' HB3' ' B' ' 42' ' ' MET . 15.5 ptp -63.92 -31.57 72.8 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.115 -0.234 . . . . 2.74 110.5 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.05 -43.56 67.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.923 0.392 . . . . 3.43 111.248 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.493 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 4.5 mm-40 -68.28 -44.54 75.3 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.371 0.605 . . . . 3.81 110.833 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.413 -0.812 . . . . 3.86 110.781 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.6 p . . . . . 0 CA--C 1.502 -0.886 0 N-CA-C 105.94 -1.874 . . . . 3.76 105.94 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.673 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 1.7 mt -59.34 -23.05 62.17 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 119.226 -0.989 . . . . 2.85 110.833 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -65.18 -37.65 88.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.336 -0.847 . . . . 4.61 110.596 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -65.36 -45.43 84.17 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.712 -1.131 . . . . 4.13 110.132 -178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.507 HG11 ' HE1' ' A' ' 42' ' ' MET . 86.2 t -67.87 -40.86 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.412 -0.813 . . . . 2.91 109.025 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.492 ' HA ' HG13 ' A' ' 20' ' ' VAL . . . -57.82 -47.54 82.33 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.454 -1.248 . . . . 3.39 111.164 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -50.17 65.46 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.719 -0.673 . . . . 5.24 109.806 -179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.845 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.2 t80 -61.99 -27.99 69.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.007 -0.997 . . . . 4.13 111.653 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' A' ' 15' ' ' VAL . . . -83.1 -27.21 30.35 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.556 0.693 . . . . 2.89 109.189 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.04 33.39 9.68 Favored Glycine 0 N--CA 1.44 -1.092 0 CA-C-N 114.684 -1.144 . . . . 3.45 111.125 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 38' ' ' VAL . 6.6 m -139.08 145.93 26.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.414 -0.893 . . . . 3.39 110.461 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.5 m -57.39 154.54 10.61 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 122.033 0.921 . . . . 4.52 110.704 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.673 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 88.5 t80 -53.35 -51.45 62.41 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 114.099 -1.41 . . . . 3.95 112.898 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -20.03 65.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.856 -0.611 . . . . 5.71 111.303 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.586 ' O ' HG21 ' A' ' 23' ' ' VAL . 9.3 m -68.55 -62.42 1.4 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.9 -0.407 . . . . 3.86 109.9 177.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.542 ' CG1' HG23 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -69.46 -29.41 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 3.01 112.149 -179.073 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -57.85 -44.37 86.48 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.671 -0.492 . . . . 3.29 109.671 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -27.79 64.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.055 -0.72 . . . . 4.68 109.055 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.034 HG11 HG23 ' A' ' 38' ' ' VAL . 53.3 t -67.49 -50.18 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-N 114.65 -1.159 . . . . 3.04 110.965 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.405 HG22 ' HE2' ' A' ' 42' ' ' MET . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.491 -0.777 . . . . 2.72 111.208 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.704 ' O ' HG11 ' A' ' 38' ' ' VAL . 12.1 m . . . . . 0 N--CA 1.445 -0.703 0 N-CA-C 111.498 0.184 . . . . 3.04 111.498 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 35' ' ' ARG . 31.2 mtm180 -63.28 -35.29 79.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.342 0.591 . . . . 4.53 109.889 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -67.43 -40.41 85.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.157 -0.928 . . . . 3.55 111.605 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -77.77 -37.78 48.21 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 120.522 -0.471 . . . . 3.16 111.492 -178.584 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.034 HG23 HG11 ' A' ' 23' ' ' VAL . 3.5 m -62.7 -46.24 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 108.529 -0.915 . . . . 2.68 108.529 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.505 ' N ' HG21 ' A' ' 38' ' ' VAL . 5.4 mt-10 -61.41 -42.38 98.64 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.517 -0.765 . . . . 3.27 109.616 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.735 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -61.34 -54.81 39.07 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.107 -0.701 . . . . 2.9 109.107 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.845 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.07 -51.4 53.62 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 113.327 0.862 . . . . 2.89 113.327 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.507 ' HE1' HG11 ' A' ' 9' ' ' VAL . 17.8 ptp -64.22 -32.68 74.35 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.855 -0.338 . . . . 2.88 110.352 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.42 -44.24 65.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.383 . . . . 3.6 111.132 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.735 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 3.9 mm-40 -69.14 -44.65 71.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.878 -0.601 . . . . 4.09 111.102 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.4 mt -80.76 -0.35 38.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.781 -0.645 . . . . 4.07 110.896 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 42.5 t30 . . . . . 0 N--CA 1.474 0.769 0 O-C-N 123.81 0.694 . . . . 4.18 110.119 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.436 -1.136 0 N-CA-C 105.335 -2.098 . . . . 3.24 105.335 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.747 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.4 mt -60.14 -21.0 61.08 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 118.887 -1.125 . . . . 2.75 111.001 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -35.02 79.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.298 -0.864 . . . . 4.42 109.447 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' B' ' 5' ' ' THR . 23.8 m-20 -65.67 -44.8 85.16 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 114.061 -1.427 . . . . 3.77 109.878 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.537 HG13 ' HB3' ' B' ' 42' ' ' MET . 74.5 t -67.39 -42.6 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.157 -0.929 . . . . 2.69 108.717 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.517 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -58.72 -47.04 85.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.782 -1.554 . . . . 3.33 111.432 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -49.34 71.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.722 -0.672 . . . . 5.21 109.304 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.801 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 40.2 t80 -59.82 -28.99 67.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.56 -0.745 . . . . 3.88 111.43 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.499 ' HB3' HG21 ' B' ' 15' ' ' VAL . . . -85.4 -26.1 26.62 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.695 0.759 . . . . 2.94 109.527 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.35 30.97 14.79 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 114.313 -1.312 . . . . 3.68 111.599 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.646 ' HB ' ' CB ' ' B' ' 19' ' ' THR . 9.2 m -140.01 153.54 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.094 -0.553 . . . . 3.67 112.475 -176.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.1 m -49.92 165.09 0.09 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 122.245 1.021 . . . . 4.41 112.166 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.747 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 54.8 t80 -61.14 -59.24 5.65 Favored 'General case' 0 C--O 1.159 -3.682 0 CA-C-N 115.022 -0.99 . . . . 3.82 109.207 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.17 16.5 0.17 Allowed 'General case' 0 C--N 1.291 -1.963 0 C-N-CA 126.421 1.888 . . . . 5.51 108.601 171.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.646 ' CB ' ' HB ' ' B' ' 15' ' ' VAL . 32.2 m -82.1 -64.69 1.13 Allowed 'General case' 0 N--CA 1.414 -2.237 1 N-CA-C 98.983 -4.451 . . . . 4.01 98.983 165.534 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.825 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.5 OUTLIER -76.4 -36.2 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 C-N-CA 127.538 2.335 . . . . 2.96 116.715 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.9 p -62.48 -29.27 70.41 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.413 -0.804 . . . . 3.31 109.959 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -32.01 70.47 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 106.658 -1.608 . . . . 5.7 106.658 176.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.77 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 97.6 t -66.33 -51.07 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 CA-C-N 113.846 -1.525 . . . . 3.44 108.988 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.081 -0.963 . . . . 3.12 111.762 179.603 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.62 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 19.3 mtm180 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.988 0.423 . . . . 4.15 110.236 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -67.77 -38.87 84.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.597 -0.728 . . . . 2.94 111.109 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -71.8 -45.62 60.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.117 -0.492 . . . . 3.51 111.056 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.825 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.4 m -67.07 -46.5 84.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.536 -0.302 . . . . 2.65 110.199 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.62 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.5 tt0 -59.99 -41.75 92.71 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.046 -0.724 . . . . 3.0 109.046 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.698 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.71 -53.98 46.14 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.147 -0.686 . . . . 2.67 109.147 178.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.801 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.6 -51.82 52.51 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.155 0.798 . . . . 2.68 113.155 -179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.537 ' HB3' HG13 ' B' ' 9' ' ' VAL . 16.6 ptp -64.96 -32.48 74.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.767 0.318 . . . . 2.74 110.396 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.43 -42.69 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 3.43 111.217 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.698 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.2 mm-40 -69.24 -44.63 71.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.869 -0.605 . . . . 3.81 110.737 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.1 mt . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.54 -0.755 . . . . 3.86 111.053 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.7 p . . . . . 0 N--CA 1.438 -1.029 0 N-CA-C 105.633 -1.988 . . . . 3.76 105.633 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.6 mt -59.32 -22.58 61.46 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 119.372 -0.931 . . . . 2.85 110.93 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -65.35 -38.24 89.5 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.503 -0.771 . . . . 4.61 110.217 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -65.58 -45.27 83.92 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 114.437 -1.256 . . . . 4.13 109.731 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.537 HG11 ' HE2' ' A' ' 42' ' ' MET . 96.7 t -68.07 -41.69 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 115.209 -0.905 . . . . 2.91 109.202 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HA ' HG13 ' A' ' 20' ' ' VAL . . . -57.47 -46.83 83.23 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.708 -1.133 . . . . 3.39 111.334 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.16 -49.31 61.8 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.647 -0.501 . . . . 5.24 109.647 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.848 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 50.2 t80 -60.81 -27.74 68.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.656 -0.702 . . . . 4.13 111.476 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.458 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -83.93 -27.95 28.19 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.742 0.782 . . . . 2.89 109.524 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.1 35.15 9.11 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-N 114.693 -1.139 . . . . 3.45 110.968 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.61 HG13 HG21 ' A' ' 34' ' ' THR . 5.6 m -139.48 146.54 25.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.498 -0.851 . . . . 3.39 110.178 -178.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -55.85 149.85 14.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.602 0.715 . . . . 4.52 110.384 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 71.2 t80 -51.62 -51.18 57.74 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.652 -1.158 . . . . 3.95 111.871 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.58 -22.15 64.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.549 -0.751 . . . . 5.71 111.927 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.542 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.1 m -68.67 -61.12 1.95 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.557 -0.292 . . . . 3.86 110.349 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.518 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -68.52 -29.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 3.01 111.932 -179.21 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.4 m -58.1 -42.5 85.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.142 0.496 . . . . 3.29 109.857 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -29.97 67.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.807 -0.812 . . . . 4.68 108.807 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.018 HG12 HG22 ' A' ' 38' ' ' VAL . 71.5 t -67.28 -50.37 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 114.533 -1.212 . . . . 3.04 110.51 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.456 HG21 ' HE3' ' A' ' 42' ' ' MET . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.094 -0.957 . . . . 2.72 111.473 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.713 ' O ' HG12 ' A' ' 38' ' ' VAL . 26.6 m . . . . . 0 N--CA 1.443 -0.822 0 N-CA-C 111.421 0.156 . . . . 3.04 111.421 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -66.98 -37.11 83.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.095 -0.706 . . . . 4.53 109.095 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -67.63 -35.38 78.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.451 -1.25 . . . . 3.55 110.264 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -71.01 -46.69 61.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.583 -0.735 . . . . 3.16 110.683 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.018 HG22 HG12 ' A' ' 23' ' ' VAL . 2.5 m -64.98 -47.02 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.984 -0.376 . . . . 2.68 109.984 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.492 ' N ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.47 -42.14 99.28 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.972 -0.558 . . . . 3.27 110.008 179.108 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.749 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.96 -53.34 58.43 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.5 -0.926 . . . . 2.9 108.5 177.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.848 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.52 -51.83 51.93 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 113.236 0.828 . . . . 2.89 113.236 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.537 ' HE2' HG11 ' A' ' 9' ' ' VAL . 16.7 ptp -65.18 -32.29 73.89 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.732 -0.387 . . . . 2.88 110.417 -179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.91 66.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.972 0.415 . . . . 3.6 111.069 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.749 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.5 mm-40 -69.59 -44.36 70.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 4.09 110.82 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.8 mt -79.34 -0.0 30.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.468 -0.787 . . . . 4.07 110.611 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.494 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 13.5 t30 . . . . . 0 N--CA 1.469 0.504 0 O-C-N 123.757 0.661 . . . . 4.18 110.672 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.9 p . . . . . 0 CA--C 1.5 -0.976 0 N-CA-C 105.864 -1.902 . . . . 3.24 105.864 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.708 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.4 mt -61.4 -20.89 63.57 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 118.858 -1.137 . . . . 2.75 109.336 178.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.58 -40.12 96.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.746 -1.115 . . . . 4.42 109.893 177.839 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.16 -44.46 92.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 113.855 -1.521 . . . . 3.77 109.739 -178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.532 HG11 ' HE1' ' B' ' 42' ' ' MET . 93.9 t -67.9 -41.64 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.186 -0.916 . . . . 2.69 109.239 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.519 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -59.93 -46.89 87.94 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.238 -1.346 . . . . 3.33 111.412 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.41 -49.11 70.45 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.497 0.665 . . . . 5.21 109.376 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.751 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 52.7 t80 -60.86 -28.25 68.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.903 -1.044 . . . . 3.88 111.29 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.423 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -84.97 -26.73 26.95 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.452 0.644 . . . . 2.94 109.281 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.27 31.7 13.56 Favored Glycine 0 CA--C 1.501 -0.834 0 CA-C-N 114.719 -1.128 . . . . 3.68 111.32 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.655 HG21 HG13 ' B' ' 20' ' ' VAL . 9.5 m -140.21 150.88 21.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.648 -0.776 . . . . 3.67 110.758 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 14.2 m -47.35 161.98 0.07 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.601 0.715 . . . . 4.41 112.349 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.708 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 66.4 t80 -60.42 -60.89 3.09 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 114.971 -1.013 . . . . 3.82 108.851 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.973 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -71.3 11.31 0.46 Allowed 'General case' 0 C--O 1.251 1.145 0 C-N-CA 120.16 -0.616 . . . . 5.51 112.222 174.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.619 ' O ' HG21 ' B' ' 23' ' ' VAL . 45.8 m -74.4 -63.21 1.28 Allowed 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 101.894 -3.372 . . . . 4.01 101.894 170.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.869 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.6 m -75.48 -32.06 24.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 113.943 -1.48 . . . . 2.96 112.652 177.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.973 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 37.5 t -61.62 -36.57 81.13 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 121.422 -0.799 . . . . 3.31 110.011 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -67.91 -32.37 72.8 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.386 -1.339 . . . . 5.7 107.386 178.272 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.775 HG13 HG22 ' B' ' 38' ' ' VAL . 87.3 t -66.04 -50.49 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 113.747 -1.57 . . . . 3.44 109.653 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.053 -0.976 . . . . 3.12 112.364 179.772 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.982 0.42 . . . . 4.15 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.16 -33.87 76.35 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.502 -0.772 . . . . 2.94 111.331 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -77.39 -42.15 37.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.574 -0.285 . . . . 3.51 110.741 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.869 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.3 m -68.22 -45.14 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.666 -0.494 . . . . 2.65 109.666 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.465 ' N ' HG23 ' B' ' 38' ' ' VAL . 11.3 mt-10 -62.14 -37.61 85.81 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.178 -0.675 . . . . 3.0 109.178 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.66 -54.96 31.52 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.634 -0.876 . . . . 2.67 108.634 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.751 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.15 -51.43 53.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.618 -0.719 . . . . 2.68 112.751 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.532 ' HE1' HG11 ' B' ' 9' ' ' VAL . 16.9 ptp -64.22 -32.03 73.46 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.032 -0.267 . . . . 2.74 110.381 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.11 -44.59 65.32 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.073 0.463 . . . . 3.43 111.069 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.423 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.9 OUTLIER -67.8 -43.42 79.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.72 -0.673 . . . . 3.81 110.391 -179.444 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.0 mt . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.648 -0.706 . . . . 3.86 110.758 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 40.2 p . . . . . 0 CA--C 1.499 -0.984 0 N-CA-C 106.465 -1.68 . . . . 3.76 106.465 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.657 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 1.6 mt -59.02 -23.98 62.42 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.051 -1.059 . . . . 2.85 110.756 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -65.21 -35.45 81.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.313 -0.858 . . . . 4.61 110.042 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 5' ' ' THR . 5.1 m-20 -65.51 -46.81 78.24 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 114.377 -1.283 . . . . 4.13 109.815 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.511 HG12 ' HE3' ' A' ' 42' ' ' MET . 96.3 t -68.37 -41.24 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 115.712 -0.676 . . . . 2.91 109.365 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.0 -46.82 84.62 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.581 -1.191 . . . . 3.39 111.603 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.81 -49.78 60.44 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.497 0.665 . . . . 5.24 109.535 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.806 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 52.8 t80 -60.51 -27.42 67.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.677 -1.147 . . . . 4.13 111.752 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' A' ' 15' ' ' VAL . . . -85.05 -27.6 26.23 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.602 0.715 . . . . 2.89 109.659 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 35.12 8.95 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 114.751 -1.113 . . . . 3.45 110.957 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.531 HG22 HG13 ' A' ' 38' ' ' VAL . 5.2 m -139.08 147.36 24.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.315 -0.942 . . . . 3.39 109.847 -178.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 m -55.72 150.29 12.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.639 0.733 . . . . 4.52 110.239 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.657 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 79.1 t80 -51.7 -51.45 55.92 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 114.49 -1.232 . . . . 3.95 112.219 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -25.05 66.43 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.465 -0.789 . . . . 5.71 111.694 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.7 m -64.98 -61.49 2.13 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.884 0.373 . . . . 3.86 110.229 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.532 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -69.37 -29.1 40.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 3.01 111.291 -179.736 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.403 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 33.9 t -58.43 -43.69 88.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.039 -0.726 . . . . 3.29 109.039 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 19' ' ' THR . 1.7 ptm180 -70.16 -26.56 63.98 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.761 -0.654 . . . . 4.68 109.379 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.057 HG11 HG22 ' A' ' 38' ' ' VAL . 46.9 t -66.39 -50.35 68.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.377 -0.829 . . . . 3.04 110.562 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.041 -0.981 . . . . 2.72 112.124 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.675 ' O ' HG12 ' A' ' 38' ' ' VAL . 7.4 m . . . . . 0 N--CA 1.444 -0.757 0 N-CA-C 111.708 0.262 . . . . 3.04 111.708 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.439 ' O ' HG21 ' A' ' 38' ' ' VAL . 20.0 mtm180 -67.31 -37.84 84.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.462 -0.57 . . . . 4.53 109.462 -178.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -68.14 -30.54 69.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.271 -0.877 . . . . 3.55 110.131 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -73.65 -47.69 37.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.05 -0.523 . . . . 3.16 109.815 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.057 HG22 HG11 ' A' ' 23' ' ' VAL . 3.0 m -64.17 -44.84 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 108.735 -0.839 . . . . 2.68 108.735 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' HG23 ' A' ' 38' ' ' VAL . 5.7 mt-10 -57.79 -48.95 78.22 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.427 -0.806 . . . . 3.27 109.601 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.03 -55.55 33.65 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 109.244 -0.65 . . . . 2.9 109.244 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.806 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.73 -51.51 49.34 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.284 0.846 . . . . 2.89 113.284 -178.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.516 ' HE3' ' HB3' ' A' ' 42' ' ' MET . 16.6 ptp -65.26 -32.49 74.19 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.697 -0.401 . . . . 2.88 110.337 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.27 -44.26 65.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.971 0.415 . . . . 3.6 111.348 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -43.25 74.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.83 -0.623 . . . . 4.09 110.795 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.9 mt -81.37 0.44 37.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.857 -0.61 . . . . 4.07 110.613 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 t30 . . . . . 0 N--CA 1.468 0.449 0 C-N-CA 123.505 0.722 . . . . 4.18 110.023 -179.074 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 31.9 p . . . . . 0 CA--C 1.498 -1.044 0 N-CA-C 106.651 -1.611 . . . . 3.24 106.651 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.865 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -60.9 -21.67 63.58 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 118.356 -1.337 . . . . 2.75 109.079 178.435 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -64.01 -40.24 95.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.671 -1.149 . . . . 4.42 109.842 177.33 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' B' ' 5' ' ' THR . 7.6 m-20 -61.83 -44.53 96.66 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 114.087 -1.415 . . . . 3.77 109.726 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.516 HG13 ' HE1' ' B' ' 42' ' ' MET . 70.8 t -68.55 -41.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.419 -0.81 . . . . 2.69 109.076 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.471 ' HA ' HG12 ' B' ' 20' ' ' VAL . . . -58.87 -46.11 88.56 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.254 -1.339 . . . . 3.33 111.467 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.06 -49.16 71.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.749 -0.659 . . . . 5.21 109.621 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.824 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 47.3 t80 -61.46 -28.1 69.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.837 -1.074 . . . . 3.88 111.401 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.443 ' HB1' HG21 ' B' ' 15' ' ' VAL . . . -86.16 -26.51 25.12 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.764 0.792 . . . . 2.94 108.986 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.13 32.71 11.81 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 114.284 -1.325 . . . . 3.68 111.916 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.66 HG23 HG11 ' B' ' 20' ' ' VAL . 8.1 m -139.78 150.38 22.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.131 -0.534 . . . . 3.67 112.078 -176.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.518 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -49.97 154.8 1.03 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.374 0.607 . . . . 4.41 110.656 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.865 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 66.3 t80 -51.25 -59.89 3.71 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 108.423 -0.954 . . . . 3.82 108.423 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.729 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -70.53 6.77 1.27 Allowed 'General case' 0 CA--C 1.482 -1.665 0 CA-C-N 115.179 -0.919 . . . . 5.51 112.518 178.038 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.643 HG23 ' HB ' ' B' ' 15' ' ' VAL . 18.7 m -72.66 -64.35 0.98 Allowed 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 101.675 -3.454 . . . . 4.01 101.675 170.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.732 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.2 m -75.79 -31.1 22.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 CA-C-N 112.845 -1.979 . . . . 2.96 114.291 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.729 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 36.2 t -61.43 -33.19 73.3 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.559 -0.713 . . . . 3.31 109.409 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -33.57 75.86 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.035 -1.469 . . . . 5.7 107.035 178.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.877 HG11 HG23 ' B' ' 38' ' ' VAL . 93.6 t -66.09 -50.98 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 113.605 -1.634 . . . . 3.44 109.528 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 114.549 -1.205 . . . . 3.12 112.741 179.848 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.465 ' HA ' HG22 ' B' ' 38' ' ' VAL . 18.6 mtm180 . . . . . 0 CA--C 1.518 -0.257 0 CA-C-O 120.881 0.372 . . . . 4.15 110.409 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.83 -34.4 77.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.662 -0.699 . . . . 2.94 111.023 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -82.14 -40.28 22.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.255 -0.429 . . . . 3.51 111.465 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.877 HG23 HG11 ' B' ' 23' ' ' VAL . 4.3 m -67.86 -45.82 83.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.598 -0.519 . . . . 2.65 109.598 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.509 ' N ' HG21 ' B' ' 38' ' ' VAL . 3.3 mt-10 -62.74 -38.0 88.81 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.462 -0.57 . . . . 3.0 109.462 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.659 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.73 -54.18 43.09 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.382 -0.969 . . . . 2.67 108.382 177.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.824 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.08 -51.26 58.81 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.502 -0.772 . . . . 2.68 113.031 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.516 ' HE1' HG13 ' B' ' 9' ' ' VAL . 15.8 ptp -64.43 -32.17 73.68 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.988 -0.285 . . . . 2.74 110.334 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 -45.31 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 3.43 111.062 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 8.8 mm-40 -66.53 -44.82 81.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.746 -0.661 . . . . 3.81 110.711 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.2 mt . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.702 -0.681 . . . . 3.86 110.671 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.1 p . . . . . 0 N--CA 1.441 -0.877 0 N-CA-C 105.796 -1.927 . . . . 3.76 105.796 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.7 mt -59.21 -23.45 62.29 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 119.542 -0.863 . . . . 2.85 111.151 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -65.22 -39.38 92.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.714 0.769 . . . . 4.61 110.023 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -66.07 -44.42 84.52 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.441 -1.254 . . . . 4.13 109.818 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' HE1' ' A' ' 42' ' ' MET . 91.2 t -68.07 -41.19 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 CA-C-N 115.536 -0.757 . . . . 2.91 109.227 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.19 -48.11 81.36 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.577 -1.192 . . . . 3.39 111.256 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.71 -48.42 63.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.958 -0.564 . . . . 5.24 109.494 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.806 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.3 t80 -60.65 -27.76 68.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 4.13 111.6 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.428 ' HB1' HG22 ' A' ' 15' ' ' VAL . . . -84.54 -27.87 27.05 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.691 0.758 . . . . 2.89 109.539 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.74 34.46 9.12 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 114.75 -1.114 . . . . 3.45 110.997 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.713 HG13 HG22 ' A' ' 34' ' ' THR . 4.5 m -139.33 146.88 24.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.395 -0.902 . . . . 3.39 109.938 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 m -55.68 151.95 10.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.6 0.714 . . . . 4.52 110.478 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.0 t80 -54.1 -50.89 65.82 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.625 -1.17 . . . . 3.95 111.372 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -27.61 65.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.008 -0.997 . . . . 5.71 111.572 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.644 ' O ' HG22 ' A' ' 23' ' ' VAL . 3.2 m -67.28 -61.69 1.79 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.435 -0.348 . . . . 3.86 111.077 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.593 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -65.74 -28.85 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 3.01 111.861 -178.177 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.0 m -56.96 -45.25 82.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.084 0.469 . . . . 3.29 109.807 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -28.79 64.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.362 -0.607 . . . . 4.68 109.362 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.706 HG12 HG22 ' A' ' 38' ' ' VAL . 91.4 t -68.05 -43.36 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 114.924 -1.035 . . . . 3.04 110.151 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.511 ' CG2' ' HE2' ' A' ' 42' ' ' MET . 41.7 t . . . . . 0 C--O 1.233 0.184 0 CA-C-O 121.512 0.672 . . . . 2.72 109.56 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.734 ' O ' HG12 ' A' ' 38' ' ' VAL . 61.6 m . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 111.313 0.116 . . . . 3.04 111.313 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -67.33 -38.21 84.53 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 108.472 -0.936 . . . . 4.53 108.472 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -67.62 -30.58 70.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.6 -1.182 . . . . 3.55 109.738 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.17 -46.75 55.08 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.877 -0.601 . . . . 3.16 110.0 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 34' ' ' THR . 1.3 m -65.84 -46.23 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 108.898 -0.778 . . . . 2.68 108.898 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 13.3 mt-10 -60.2 -40.62 90.72 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.714 -0.676 . . . . 3.27 109.657 178.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.793 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -63.16 -55.34 26.02 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.653 -0.869 . . . . 2.9 108.653 177.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.806 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.37 -51.26 47.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.82 0.674 . . . . 2.89 112.82 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.538 ' HE1' HG13 ' A' ' 9' ' ' VAL . 13.0 ptp -65.34 -32.14 73.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.677 -0.409 . . . . 2.88 110.204 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.63 -46.36 59.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.841 0.353 . . . . 3.6 110.972 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.793 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.2 mm-40 -66.14 -44.46 84.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.824 -0.625 . . . . 4.09 110.283 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 11.1 mt -80.45 -0.48 37.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.785 -0.643 . . . . 4.07 110.193 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.6 t30 . . . . . 0 N--CA 1.471 0.613 0 C-N-CA 123.874 0.87 . . . . 4.18 110.903 -179.304 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 33.0 p . . . . . 0 CA--C 1.499 -1.002 0 N-CA-C 105.841 -1.911 . . . . 3.24 105.841 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.799 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -61.1 -20.25 62.41 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 118.731 -1.188 . . . . 2.75 109.339 178.53 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.478 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.35 -38.2 90.2 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.761 -1.109 . . . . 4.42 109.807 177.413 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' B' ' 5' ' ' THR . 9.4 m-20 -65.44 -44.65 86.61 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 113.928 -1.487 . . . . 3.77 109.679 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.501 HG12 ' HE2' ' B' ' 42' ' ' MET . 76.8 t -67.74 -41.76 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-N 115.245 -0.888 . . . . 2.69 109.628 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -60.02 -47.13 87.12 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.324 -1.307 . . . . 3.33 111.413 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.4 -48.14 76.52 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.817 -0.629 . . . . 5.21 109.328 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.833 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 42.8 t80 -61.56 -27.11 68.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.955 -1.02 . . . . 3.88 111.45 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.669 ' HB3' ' HG3' ' B' ' 37' ' ' LYS . . . -85.93 -25.87 25.85 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.515 0.674 . . . . 2.94 109.708 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.19 32.37 12.4 Favored Glycine 0 CA--C 1.5 -0.861 0 CA-C-N 114.863 -1.062 . . . . 3.68 111.077 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.689 ' HB ' HG21 ' B' ' 19' ' ' THR . 5.1 m -141.83 150.82 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.073 -1.064 . . . . 3.67 111.389 -177.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.47 ' HB2' ' OG1' ' B' ' 19' ' ' THR . 16.0 m -49.7 155.89 0.76 Allowed 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.78 0.8 . . . . 4.41 110.472 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.799 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.4 t80 -53.41 -58.43 7.13 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 114.664 -1.153 . . . . 3.82 109.393 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.862 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.347 0.0 OUTLIER -79.73 21.57 0.52 Allowed 'General case' 0 C--O 1.261 1.66 0 N-CA-C 114.172 1.175 . . . . 5.51 114.172 177.397 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.689 HG21 ' HB ' ' B' ' 15' ' ' VAL . 100.0 m -79.98 -60.63 2.26 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 101.284 -3.599 . . . . 4.01 101.284 169.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.813 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.5 m -73.78 -31.85 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-N 111.866 -2.425 . . . . 2.96 113.073 176.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.862 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 48.4 t -64.47 -35.58 81.4 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 121.689 -0.632 . . . . 3.31 109.36 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 22' ' ' ARG . 34.9 mtp180 -64.04 -38.97 93.01 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 106.226 -1.768 . . . . 5.7 106.226 176.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.768 HG12 HG23 ' B' ' 38' ' ' VAL . 93.1 t -58.59 -51.9 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 114.227 -1.352 . . . . 3.44 108.756 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 51.2 t . . . . . 0 CA--C 1.541 0.607 0 CA-C-N 114.721 -1.127 . . . . 3.12 111.544 178.1 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.432 ' O ' HG22 ' B' ' 38' ' ' VAL . 11.2 mtp180 . . . . . 0 C--O 1.221 -0.398 0 N-CA-C 109.473 -0.565 . . . . 4.15 109.473 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -67.64 -32.65 73.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.279 -0.873 . . . . 2.94 110.463 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.669 ' HG3' ' HB3' ' B' ' 13' ' ' ALA . 2.4 ptmt -72.99 -43.38 62.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 3.51 110.105 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.813 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -69.77 -41.93 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.147 -0.686 . . . . 2.65 109.147 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 5.1 mt-10 -58.85 -42.69 89.94 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.444 -0.798 . . . . 3.0 109.069 177.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.595 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.98 -52.77 61.71 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 109.033 -0.728 . . . . 2.67 109.033 177.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.833 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.98 -51.48 56.93 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 113.173 0.805 . . . . 2.68 113.173 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.513 ' HB3' ' HE2' ' B' ' 42' ' ' MET . 16.1 ptp -64.84 -32.33 73.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.585 0.231 . . . . 2.74 110.503 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.46 -42.59 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 3.43 111.333 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.8 mm-40 -69.22 -43.88 73.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.374 0.607 . . . . 3.81 110.621 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.254 -0.885 . . . . 3.86 110.776 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 CA--C 1.504 -0.819 0 N-CA-C 106.697 -1.594 . . . . 3.76 106.697 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.613 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 3.1 mt -59.98 -24.23 64.26 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 119.108 -1.037 . . . . 2.85 111.195 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -64.87 -39.95 94.35 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.87 0.843 . . . . 4.61 110.649 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -65.66 -43.45 89.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 113.999 -1.455 . . . . 4.13 110.178 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.518 HG13 ' HE1' ' A' ' 42' ' ' MET . 78.9 t -68.8 -41.99 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.64 0.733 . . . . 2.91 109.052 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.501 ' HA ' HG13 ' A' ' 20' ' ' VAL . . . -56.74 -48.89 76.76 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.318 -1.31 . . . . 3.39 111.498 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.33 -49.23 70.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 115.659 -0.701 . . . . 5.24 109.547 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.78 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.4 t80 -61.94 -29.92 70.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 4.13 111.654 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB1' HG22 ' A' ' 15' ' ' VAL . . . -79.92 -27.12 39.92 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.73 0.776 . . . . 2.89 109.265 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.8 33.02 10.27 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.624 -1.171 . . . . 3.45 110.488 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.552 HG23 HG12 ' A' ' 38' ' ' VAL . 4.5 m -139.27 145.7 26.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 114.055 -1.072 . . . . 3.39 109.858 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -56.26 152.39 11.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.76 0.79 . . . . 4.52 110.737 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.613 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.9 t80 -52.82 -51.12 62.09 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.379 -1.282 . . . . 3.95 111.618 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.98 -22.98 63.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.107 -0.951 . . . . 5.71 111.878 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.4 m -70.54 -62.17 1.49 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.406 -0.361 . . . . 3.86 110.776 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.505 ' HA ' HG23 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -69.12 -29.8 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.56 0.578 . . . . 3.01 112.56 -178.53 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -58.14 -42.34 85.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.258 0.551 . . . . 3.29 109.76 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.03 -30.75 68.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.967 -0.753 . . . . 4.68 108.967 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.028 HG12 HG22 ' A' ' 38' ' ' VAL . 74.3 t -65.25 -47.79 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.925 -1.034 . . . . 3.04 109.721 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.426 ' CG2' ' HE2' ' A' ' 42' ' ' MET . 21.6 t . . . . . 0 CA--C 1.535 0.386 0 CA-C-N 115.572 -0.74 . . . . 2.72 110.096 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.676 ' O ' HG11 ' A' ' 38' ' ' VAL . 6.6 m . . . . . 0 N--CA 1.442 -0.837 0 N-CA-C 111.349 0.129 . . . . 3.04 111.349 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 21.8 mtm180 -64.78 -37.35 87.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.844 0.354 . . . . 4.53 110.082 -178.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.97 -30.56 70.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.628 -0.715 . . . . 3.55 109.795 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -76.82 -45.72 27.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.843 -0.617 . . . . 3.16 110.439 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 1.028 HG22 HG12 ' A' ' 23' ' ' VAL . 2.3 m -64.3 -46.44 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.213 -0.662 . . . . 2.68 109.213 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.483 ' N ' HG23 ' A' ' 38' ' ' VAL . 4.7 mt-10 -58.7 -42.63 89.03 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.611 -0.722 . . . . 3.27 109.412 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.4 26.0 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.348 -0.612 . . . . 2.9 109.348 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.78 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.56 -51.49 47.61 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 113.455 0.909 . . . . 2.89 113.455 -178.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.518 ' HE1' HG13 ' A' ' 9' ' ' VAL . 16.5 ptp -64.37 -31.83 73.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.991 -0.374 . . . . 2.88 109.991 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.68 -47.36 47.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 3.6 111.186 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -44.52 80.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.682 -0.69 . . . . 4.09 110.961 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.2 mt -81.12 -1.54 44.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.183 -0.462 . . . . 4.07 110.627 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.436 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 2.9 t-20 . . . . . 0 N--CA 1.473 0.688 0 O-C-N 123.845 0.716 . . . . 4.18 109.736 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.441 -0.921 0 N-CA-C 105.7 -1.963 . . . . 3.24 105.7 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.822 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.1 mt -60.6 -19.3 57.38 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.878 -1.129 . . . . 2.75 110.168 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.401 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.2 OUTLIER -65.74 -38.77 90.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.704 -1.135 . . . . 4.42 110.346 177.338 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.4 -42.13 88.31 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 114.828 -1.078 . . . . 3.77 109.961 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.534 HG11 ' HE2' ' B' ' 42' ' ' MET . 78.5 t -66.89 -41.31 87.44 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 CA-C-O 121.945 0.878 . . . . 2.69 109.047 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.21 -46.71 89.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.039 -1.437 . . . . 3.33 111.426 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -66.23 -47.88 72.35 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.092 -0.707 . . . . 5.21 109.092 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.787 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 53.1 t80 -60.51 -28.65 68.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.149 -0.932 . . . . 3.88 111.008 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.23 -26.39 25.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.571 0.7 . . . . 2.94 109.191 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 31.99 12.9 Favored Glycine 0 CA--C 1.504 -0.601 0 CA-C-N 114.551 -1.204 . . . . 3.68 111.457 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.671 ' HB ' HG23 ' B' ' 19' ' ' THR . 12.1 m -140.39 151.11 21.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-N 114.616 -0.792 . . . . 3.67 111.449 -176.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.447 ' O ' ' HB ' ' B' ' 19' ' ' THR . 2.0 p -52.48 162.29 0.57 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 121.577 0.703 . . . . 4.41 110.892 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.822 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 75.4 t80 -55.9 -60.72 3.06 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.271 -1.331 . . . . 3.82 111.701 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.901 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.276 0.0 OUTLIER -70.36 -3.15 16.06 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 124.489 1.118 . . . . 5.51 110.888 172.731 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.671 HG23 ' HB ' ' B' ' 15' ' ' VAL . 98.9 m -62.34 -60.4 3.61 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 102.076 -3.305 . . . . 4.01 102.076 169.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.979 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.1 m -76.88 -36.9 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 114.553 1.316 . . . . 2.96 114.553 177.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.901 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 43.3 t -57.8 -37.41 73.7 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.898 -0.501 . . . . 3.31 109.783 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.673 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.9 OUTLIER -65.55 -32.27 73.78 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 107.212 -1.403 . . . . 5.7 107.212 177.311 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.843 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 53.9 t -66.23 -51.71 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 114.186 -1.37 . . . . 3.44 109.538 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.423 HG21 ' HE3' ' B' ' 42' ' ' MET . 2.8 t . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 114.469 -1.241 . . . . 3.12 111.777 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 121.282 0.563 . . . . 4.15 110.247 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.28 -37.06 80.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.173 -0.921 . . . . 2.94 111.412 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -72.99 -44.21 61.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.33 -0.396 . . . . 3.51 111.169 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.979 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -67.31 -46.24 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.802 -0.444 . . . . 2.65 109.802 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.501 ' N ' HG22 ' B' ' 38' ' ' VAL . 1.4 mt-10 -62.79 -37.65 87.54 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.274 -0.639 . . . . 3.0 109.274 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.18 -55.71 29.08 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 108.252 -1.018 . . . . 2.67 108.252 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.787 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.48 -51.38 47.62 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.612 -0.722 . . . . 2.68 112.734 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.534 ' HE2' HG11 ' B' ' 9' ' ' VAL . 16.9 ptp -65.14 -32.59 74.35 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.769 -0.372 . . . . 2.74 110.31 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.39 66.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.042 0.449 . . . . 3.43 111.174 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.464 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.8 OUTLIER -67.75 -43.73 79.19 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.726 -0.67 . . . . 3.81 110.21 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.574 -0.739 . . . . 3.86 110.295 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -1.013 0 N-CA-C 105.71 -1.959 . . . . 3.76 105.71 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.647 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.3 mt -58.31 -23.17 55.63 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 119.424 -0.91 . . . . 2.85 111.742 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -64.9 -36.64 85.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.591 0.71 . . . . 4.61 110.484 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -65.19 -45.06 86.35 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 114.455 -1.248 . . . . 4.13 110.573 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.521 HG11 ' HE2' ' A' ' 42' ' ' MET . 92.4 t -68.21 -40.62 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 CA-C-O 121.638 0.733 . . . . 2.91 109.207 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HA ' HG13 ' A' ' 20' ' ' VAL . . . -58.95 -48.09 82.78 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.44 -1.254 . . . . 3.39 111.755 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.19 -48.15 68.81 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.363 -0.606 . . . . 5.24 109.363 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.805 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 48.1 t80 -61.53 -28.93 69.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.235 -0.893 . . . . 4.13 111.716 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.431 ' HB1' HG23 ' A' ' 15' ' ' VAL . . . -83.59 -26.82 29.69 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.907 0.861 . . . . 2.89 109.785 -179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.27 35.91 8.51 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.746 -1.115 . . . . 3.45 110.676 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.593 HG21 HG12 ' A' ' 38' ' ' VAL . 4.1 m -139.16 146.74 25.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 114.276 -0.962 . . . . 3.39 109.959 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -56.28 148.23 19.07 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.548 0.69 . . . . 4.52 109.989 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.647 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 70.6 t80 -50.63 -51.45 48.78 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 114.72 -1.127 . . . . 3.95 111.89 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -23.76 59.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.238 -0.892 . . . . 5.71 111.977 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.539 ' O ' HG21 ' A' ' 23' ' ' VAL . 19.0 m -69.58 -63.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.673 -0.24 . . . . 3.86 110.552 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.566 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -69.43 -30.11 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.313 -0.403 . . . . 3.01 111.943 -179.024 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.406 ' HA ' HD12 ' A' ' 6' ' ' LEU . 28.9 t -58.24 -47.74 82.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.299 -0.63 . . . . 3.29 109.299 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -70.6 -23.82 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.631 -0.713 . . . . 4.68 109.56 179.389 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.91 HG13 HG21 ' A' ' 38' ' ' VAL . 21.2 t -64.94 -50.94 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.711 -0.848 . . . . 3.04 108.711 178.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 CA--C 1.535 0.393 0 CA-C-N 115.478 -0.783 . . . . 2.72 111.013 178.574 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.707 ' O ' HG11 ' A' ' 38' ' ' VAL . 3.6 m . . . . . 0 N--CA 1.443 -0.821 0 CA-C-O 120.669 0.271 . . . . 3.04 111.175 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HA ' HG23 ' A' ' 38' ' ' VAL . 10.9 mtt180 -65.42 -34.19 77.7 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.271 -0.64 . . . . 4.53 109.271 -178.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.82 -39.49 94.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.252 -0.885 . . . . 3.55 110.924 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HE3' HG11 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -83.53 -36.94 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.984 -0.686 . . . . 3.16 111.578 -179.56 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.91 HG21 HG13 ' A' ' 23' ' ' VAL . 4.5 m -62.19 -46.15 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 108.446 -0.946 . . . . 2.68 108.446 178.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.484 ' N ' HG22 ' A' ' 38' ' ' VAL . 20.7 mt-10 -62.82 -42.2 99.63 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.443 -0.799 . . . . 3.27 109.614 178.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HB1' ' HA ' ' A' ' 37' ' ' LYS . . . -59.81 -55.88 28.68 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.812 -0.81 . . . . 2.9 108.812 178.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.805 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.2 -51.65 51.86 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 113.043 0.757 . . . . 2.89 113.043 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.521 ' HE2' HG11 ' A' ' 9' ' ' VAL . 17.9 ptp -64.41 -31.87 73.25 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.809 -0.356 . . . . 2.88 110.415 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.94 -44.78 63.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.064 0.459 . . . . 3.6 111.049 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 0.8 OUTLIER -68.05 -44.32 76.66 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.772 -0.649 . . . . 4.09 110.611 -179.213 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.4 mt -80.6 -0.32 37.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.644 -0.707 . . . . 4.07 110.405 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t30 . . . . . 0 N--CA 1.472 0.644 0 C-N-CA 123.571 0.748 . . . . 4.18 110.714 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 31.6 p . . . . . 0 CA--C 1.502 -0.89 0 N-CA-C 105.924 -1.88 . . . . 3.24 105.924 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.948 HD12 ' HG ' ' B' ' 21' ' ' SER . 1.4 mt -61.03 -21.81 63.96 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 118.088 -1.445 . . . . 2.75 109.243 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -37.48 87.61 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.586 -1.188 . . . . 4.42 110.289 176.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.06 -44.6 88.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 114.786 -1.097 . . . . 3.77 109.767 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.538 HG13 ' HE3' ' B' ' 42' ' ' MET . 88.3 t -67.5 -43.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.42 -0.809 . . . . 2.69 109.147 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.481 ' HA ' HG12 ' B' ' 20' ' ' VAL . . . -58.07 -47.15 84.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.1 -1.409 . . . . 3.33 111.128 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -64.7 -49.44 70.9 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.633 -0.712 . . . . 5.21 109.58 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.768 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 41.9 t80 -61.2 -28.64 69.29 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.871 -1.059 . . . . 3.88 111.299 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.473 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -84.1 -26.26 29.1 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.601 0.715 . . . . 2.94 109.619 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.33 30.18 17.26 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.189 -0.914 . . . . 3.68 111.292 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.521 ' HB ' ' CB ' ' B' ' 19' ' ' THR . 17.3 m -139.9 150.19 22.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.268 -0.966 . . . . 3.67 110.853 -176.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -49.26 161.52 0.17 Allowed 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 121.753 0.787 . . . . 4.41 111.208 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.751 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 54.8 t80 -54.4 -68.9 0.15 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.725 -1.125 . . . . 3.82 109.545 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 1.07 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -61.63 -1.37 0.57 Allowed 'General case' 0 CA--C 1.485 -1.538 0 C-N-CA 124.358 1.063 . . . . 5.51 112.055 176.647 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.521 ' CB ' ' HB ' ' B' ' 15' ' ' VAL 0.255 88.9 m -65.8 -59.51 3.81 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 102.339 -3.208 . . . . 4.01 102.339 173.232 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.996 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 2.0 m -77.22 -34.7 21.63 Favored 'Isoleucine or valine' 0 C--N 1.384 2.094 0 O-C-N 125.38 1.675 . . . . 2.96 113.501 175.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 1.07 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 62.1 m -59.72 -37.02 77.75 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.696 -0.627 . . . . 3.31 111.742 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.609 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.1 OUTLIER -66.39 -29.81 70.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.039 -1.467 . . . . 5.7 107.039 177.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.779 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 72.8 t -65.87 -51.7 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 114.41 -1.268 . . . . 3.44 108.736 177.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 CA--C 1.537 0.458 0 CA-C-N 114.548 -1.205 . . . . 3.12 111.883 178.887 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' B' ' 35' ' ' ARG . 18.3 mtm180 . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 120.867 0.365 . . . . 4.15 110.235 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.0 -36.54 82.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.54 -0.755 . . . . 2.94 109.841 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -71.23 -46.41 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.727 -0.67 . . . . 3.51 111.316 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.996 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.7 m -68.21 -47.82 76.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.697 -0.229 . . . . 2.65 110.73 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.512 ' N ' HG23 ' B' ' 38' ' ' VAL . 5.6 mt-10 -62.08 -37.08 83.68 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.104 -0.702 . . . . 3.0 109.104 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.62 -55.51 19.78 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 108.463 -0.94 . . . . 2.67 108.463 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.768 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -49.77 -51.0 42.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 113.135 0.791 . . . . 2.68 113.135 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.538 ' HE3' HG13 ' B' ' 9' ' ' VAL . 16.8 ptp -64.57 -32.72 74.49 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.809 -0.357 . . . . 2.74 110.382 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.95 -44.66 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 3.43 111.093 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.402 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -68.45 -43.47 76.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.686 -0.688 . . . . 3.81 110.45 -179.32 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 10.0 mt . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.908 -0.587 . . . . 3.86 110.77 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.9 p . . . . . 0 N--CA 1.445 -0.714 0 N-CA-C 106.76 -1.57 . . . . 3.76 106.76 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.639 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.4 mt -59.2 -25.1 63.68 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 119.813 -0.755 . . . . 2.85 111.318 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -65.05 -37.8 88.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.668 0.747 . . . . 4.61 110.377 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -65.63 -44.34 86.75 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.344 -1.298 . . . . 4.13 109.807 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.511 HG13 ' HE1' ' A' ' 42' ' ' MET . 87.0 t -68.52 -42.7 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 CA-C-O 121.67 0.748 . . . . 2.91 109.15 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.513 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -56.71 -48.47 77.63 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.437 -1.256 . . . . 3.39 111.4 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.61 -48.81 65.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.015 -0.539 . . . . 5.24 109.839 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.835 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 52.0 t80 -60.27 -29.56 68.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.277 -0.874 . . . . 4.13 111.508 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.459 ' HB3' HG21 ' A' ' 15' ' ' VAL . . . -83.3 -27.52 29.74 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.764 0.792 . . . . 2.89 109.571 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.51 35.12 8.79 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.688 -1.142 . . . . 3.45 110.673 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.58 HG22 HG11 ' A' ' 38' ' ' VAL . 6.2 m -139.27 145.79 26.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 114.245 -0.978 . . . . 3.39 110.136 -179.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.3 m -55.16 150.98 9.99 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.599 0.714 . . . . 4.52 110.397 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.639 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 82.6 t80 -52.53 -52.01 56.86 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.755 -1.112 . . . . 3.95 112.212 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -22.37 66.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.581 -0.736 . . . . 5.71 111.515 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -65.89 -61.53 2.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.976 -0.379 . . . . 3.86 109.976 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.555 ' HB ' ' CG1' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -68.34 -29.15 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 3.01 111.84 -178.87 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -58.03 -44.64 87.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.078 0.466 . . . . 3.29 110.129 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -71.06 -27.73 63.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.497 0.665 . . . . 4.68 109.253 179.609 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.924 HG11 HG22 ' A' ' 38' ' ' VAL . 54.7 t -67.25 -50.92 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 114.734 -1.121 . . . . 3.04 110.776 -179.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.162 -0.926 . . . . 2.72 111.602 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.699 ' O ' HG13 ' A' ' 38' ' ' VAL . 1.7 m . . . . . 0 N--CA 1.44 -0.936 0 N-CA-C 112.094 0.405 . . . . 3.04 112.094 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.513 ' HG2' HG12 ' A' ' 23' ' ' VAL . 30.4 mtm180 -60.39 -41.5 93.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.995 0.426 . . . . 4.53 110.363 -177.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -67.42 -31.77 72.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.587 -0.733 . . . . 3.55 110.357 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -72.02 -47.86 48.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 3.16 109.891 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.924 HG22 HG11 ' A' ' 23' ' ' VAL . 2.2 m -63.58 -44.17 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.842 -0.799 . . . . 2.68 108.842 178.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 15.9 mt-10 -57.54 -47.55 81.73 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.106 -0.952 . . . . 3.27 109.857 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.707 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -59.15 -53.35 59.27 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 109.357 -0.609 . . . . 2.9 109.357 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.835 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -53.36 -51.81 61.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 113.34 0.867 . . . . 2.89 113.34 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.519 ' HE1' ' HB3' ' A' ' 42' ' ' MET . 14.6 ptp -65.26 -31.92 73.32 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.933 -0.307 . . . . 2.88 110.273 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.0 -43.78 70.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.811 0.338 . . . . 3.6 110.975 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.707 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 23.6 mm-40 -68.64 -45.39 71.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.23 0.538 . . . . 4.09 111.023 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.8 mt -80.84 2.16 27.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.444 -0.798 . . . . 4.07 111.269 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.525 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 1.8 t-20 . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 109.326 -0.62 . . . . 4.18 109.326 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 CA--C 1.499 -0.997 0 N-CA-C 106.031 -1.841 . . . . 3.24 106.031 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.705 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.4 mt -61.43 -20.86 63.58 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 118.604 -1.239 . . . . 2.75 109.677 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.24 -40.27 95.69 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 114.952 -1.022 . . . . 4.42 109.51 177.637 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -61.67 -44.23 97.34 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 114.158 -1.383 . . . . 3.77 109.568 -178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.531 HG11 ' HE1' ' B' ' 42' ' ' MET . 75.7 t -68.77 -42.36 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.357 -0.838 . . . . 2.69 109.161 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.467 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -58.5 -46.42 86.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.314 -1.312 . . . . 3.33 111.466 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -49.04 71.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.609 -0.723 . . . . 5.21 109.327 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.816 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.3 t80 -61.65 -27.87 68.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.027 -0.988 . . . . 3.88 111.272 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.434 ' HB1' HG23 ' B' ' 15' ' ' VAL . . . -86.05 -25.39 25.93 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.556 0.693 . . . . 2.94 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.21 31.65 16.33 Favored Glycine 0 CA--C 1.498 -0.997 0 CA-C-N 114.728 -1.124 . . . . 3.68 111.598 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.61 ' HB ' HG22 ' B' ' 19' ' ' THR . 6.9 m -139.54 150.53 22.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.611 -0.795 . . . . 3.67 111.073 -177.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.3 m -50.55 161.46 0.32 Allowed 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 121.896 0.855 . . . . 4.41 111.531 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.705 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 76.0 t80 -57.51 -63.73 1.13 Allowed 'General case' 0 C--O 1.196 -1.742 0 CA-C-N 114.706 -1.134 . . . . 3.82 111.634 -179.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.722 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.8 OUTLIER -62.15 10.47 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 126.294 1.837 . . . . 5.51 110.845 167.044 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.61 HG22 ' HB ' ' B' ' 15' ' ' VAL . 23.4 m -78.98 -65.34 1.01 Allowed 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 104.738 -2.319 . . . . 4.01 104.738 162.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.927 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -76.28 -31.24 20.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 C-N-CA 126.637 1.975 . . . . 2.96 113.463 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' SER . . . . . 0.722 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 17.8 t -60.31 -40.29 90.05 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 108.531 -0.914 . . . . 3.31 108.531 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -66.31 -32.23 73.5 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.898 -1.149 . . . . 5.7 107.898 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.857 HG11 HG22 ' B' ' 38' ' ' VAL . 83.8 t -66.1 -50.9 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 114.108 -1.406 . . . . 3.44 109.687 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.445 ' CG2' ' HE2' ' B' ' 42' ' ' MET . 53.6 t . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 114.985 -1.007 . . . . 3.12 112.353 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.487 ' HG3' HG12 ' B' ' 23' ' ' VAL . 2.6 ttm180 . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 121.032 0.444 . . . . 4.15 110.614 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -67.35 -40.75 85.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.474 -0.785 . . . . 2.94 111.33 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -71.23 -43.59 67.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.902 -0.59 . . . . 3.51 111.223 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.927 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -66.85 -44.12 89.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.793 -0.447 . . . . 2.65 109.793 179.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.465 ' N ' HG23 ' B' ' 38' ' ' VAL . 7.4 mt-10 -61.92 -37.81 86.09 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.323 -0.621 . . . . 3.0 109.323 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -64.42 -53.21 51.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.854 -0.795 . . . . 2.67 108.854 177.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.816 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.02 -51.36 57.88 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.525 -0.761 . . . . 2.68 112.94 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.531 ' HE1' HG11 ' B' ' 9' ' ' VAL . 15.8 ptp -64.78 -32.0 73.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 121.011 -0.276 . . . . 2.74 110.549 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.09 -42.01 73.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.382 . . . . 3.43 111.049 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.48 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 4.3 mm-40 -69.37 -44.83 70.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.378 0.609 . . . . 3.81 110.853 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 7.6 mt . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 115.327 -0.851 . . . . 3.86 110.706 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.4 ttp . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 110.135 -0.32 . . . . 8.46 110.135 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.657 ' HD2' ' HD2' ' A' ' 3' ' ' PRO . 22.8 tptp -147.52 118.16 4.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.613 -0.267 . . . . 7.55 110.468 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.657 ' HD2' ' HD2' ' A' ' 2' ' ' LYS . 37.3 Cg_endo -67.2 -173.73 0.45 Allowed 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.836 2.357 . . . . 4.58 112.139 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.51 HG13 ' HB2' ' A' ' 8' ' ' ASP . 21.9 t -54.48 148.85 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 122.595 1.188 . . . . 3.82 113.327 -178.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.493 ' N ' HG11 ' A' ' 4' ' ' VAL . 41.3 p -124.55 162.13 24.7 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 105.565 -2.013 . . . . 3.76 105.565 175.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.743 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 1.5 mt -60.1 -22.75 63.17 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 119.152 -1.019 . . . . 2.85 110.583 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -65.3 -36.95 85.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.316 -0.856 . . . . 4.61 110.255 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.51 ' HB2' HG13 ' A' ' 4' ' ' VAL . 19.2 m-20 -65.77 -45.11 83.73 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 114.637 -1.165 . . . . 4.13 110.121 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.525 HG13 ' HE3' ' A' ' 42' ' ' MET . 91.9 t -67.29 -39.93 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 108.81 -0.811 . . . . 2.91 108.81 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -59.54 -48.28 82.28 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.372 -1.286 . . . . 3.39 111.057 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.65 -50.14 66.08 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.564 -0.744 . . . . 5.24 109.61 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.819 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 53.6 t80 -61.44 -27.81 68.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.84 -1.073 . . . . 4.13 111.69 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -84.31 -27.3 27.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.862 0.839 . . . . 2.89 109.435 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.45 35.11 8.84 Favored Glycine 0 N--CA 1.441 -1.016 0 CA-C-N 114.549 -1.205 . . . . 3.45 110.809 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.557 HG21 HG12 ' A' ' 38' ' ' VAL . 6.4 m -139.55 147.28 24.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 114.242 -0.979 . . . . 3.39 110.348 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.2 m -56.1 151.97 11.35 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.578 0.704 . . . . 4.52 110.193 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.716 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 83.1 t80 -53.37 -51.07 63.66 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.816 -1.084 . . . . 3.95 112.117 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -60.74 -21.22 62.75 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.965 -1.016 . . . . 5.71 111.317 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.576 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 5.7 m -70.11 -62.49 1.36 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.36 -0.382 . . . . 3.86 110.434 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.523 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -69.46 -29.86 43.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.917 -0.583 . . . . 3.01 111.795 -179.078 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.1 t -58.3 -44.82 88.71 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.438 -0.579 . . . . 3.29 109.438 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.813 HH11 HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.39 -26.55 62.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.114 -0.698 . . . . 4.68 109.114 179.484 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.127 ' HA ' ' HB1' ' A' ' 27' ' ' ALA . 42.8 t -66.04 -50.21 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.19 -0.914 . . . . 3.04 110.067 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG13 ' ND2' ' A' ' 25' ' ' ASN . 0.8 OUTLIER -64.4 -17.88 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.15 -0.932 . . . . 2.72 111.354 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.48 ' ND2' HG13 ' A' ' 24' ' ' VAL . 14.1 m-80 -105.63 -10.99 16.51 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.308 0.855 . . . . 3.68 113.308 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 176.79 -55.63 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.095 0.406 . . . . 6.64 112.095 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 1.127 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . 59.07 51.68 6.9 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.076 0.465 . . . . 4.63 111.459 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -64.76 -60.81 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.728 -0.669 . . . . 5.4 111.512 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -101.56 75.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.085 -0.507 . . . . 6.16 110.149 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.813 HG23 HH11 ' A' ' 22' ' ' ARG . 9.0 t -139.34 147.09 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.854 -0.612 . . . . 4.47 110.07 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.58 176.58 8.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.978 0.418 . . . . 3.8 111.826 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.22 -68.44 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.693 -0.685 . . . . 3.6 112.565 -179.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -49.27 -34.99 16.59 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.594 0.59 . . . . 4.97 112.594 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.697 ' O ' HG11 ' A' ' 38' ' ' VAL . 7.8 m -60.76 -46.23 91.26 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 121.02 -0.272 . . . . 3.04 111.2 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 25.1 mtt180 -65.42 -34.3 77.97 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.19 -0.671 . . . . 4.53 109.19 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 31.2 mt-10 -64.76 -42.67 94.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.086 -0.961 . . . . 3.55 111.296 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -37.55 52.41 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.128 -0.629 . . . . 3.16 111.613 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.044 HG22 HG11 ' A' ' 23' ' ' VAL . 3.3 m -63.65 -47.39 91.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 108.549 -0.908 . . . . 2.68 108.549 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.503 ' N ' HG23 ' A' ' 38' ' ' VAL . 2.8 mt-10 -60.43 -42.94 97.09 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.618 -0.719 . . . . 3.27 109.407 177.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.46 -56.64 17.95 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.256 -0.646 . . . . 2.9 109.256 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.819 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -49.95 -51.58 40.2 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 113.265 0.839 . . . . 2.89 113.265 -178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.525 ' HE3' HG13 ' A' ' 9' ' ' VAL . 18.0 ptp -64.44 -32.07 73.55 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.631 -0.428 . . . . 2.88 110.318 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.27 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.413 . . . . 3.6 111.162 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.61 -44.31 74.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.635 -0.712 . . . . 4.09 110.806 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -80.6 -0.56 38.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.548 . . . . 4.07 110.867 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 1.7 t-20 74.48 -47.85 0.64 Allowed 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.704 0.628 . . . . 4.18 109.789 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.743 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.1 t80 59.58 96.6 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.116 -0.947 . . . . 3.27 113.346 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.512 HD12 ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -129.25 109.69 17.92 Favored Pre-proline 0 N--CA 1.447 -0.622 0 N-CA-C 107.773 -1.195 . . . . 3.99 107.773 177.213 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.93 -70.45 0.03 OUTLIER 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.318 2.679 . . . . 4.1 114.297 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.512 ' HB2' HD12 ' A' ' 48' ' ' ILE . 0.6 OUTLIER 63.36 40.68 8.3 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.236 0.541 . . . . 5.58 110.116 -178.494 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.488 ' HD2' " O4'" ' D' ' 10' ' ' ' DA' . 0.0 OUTLIER -88.07 11.5 15.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.845 -0.616 . . . . 9.64 111.393 -179.188 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 75.0 m -111.87 -91.59 0.48 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.469 -0.332 . . . . 5.87 110.562 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -173.37 72.86 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.115 0.483 . . . . 8.15 110.622 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -106.72 -67.9 0.92 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.848 -0.614 . . . . 10.55 110.177 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.12 -4.11 2.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.899 0.38 . . . . 13.52 110.928 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.2 tp -90.4 91.34 8.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.234 -0.439 . . . . 12.14 110.577 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.42 -76.21 0.29 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.062 -0.517 . . . . 14.26 110.982 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.65 122.91 23.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.049 -0.595 . . . . 16.04 112.234 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.491 ' HE2' H5'' ' C' ' 13' ' ' ' DT' . 31.6 mtmm -130.01 -65.92 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.626 0.251 . . . . 17.98 110.863 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.478 ' HG3' ' HG ' ' A' ' 62' ' ' LEU . 48.0 tp60 -124.73 127.15 46.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.813 0.339 . . . . 19.89 110.391 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.68 99.43 9.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.169 -0.468 . . . . 20.57 110.884 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.592 ' HB2' " H4'" ' C' ' 14' ' ' ' DT' . 92.9 mt . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.289 -0.414 . . . . 22.18 110.079 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.1 ttm . . . . . 0 C--O 1.233 0.235 0 CA-C-O 121.144 0.497 . . . . 10.83 110.787 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -118.79 85.28 27.55 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.481 . . . . 8.7 110.129 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.49 -52.25 0.14 Allowed 'Trans proline' 0 CA--C 1.515 -0.475 0 C-N-CA 123.12 2.546 . . . . 4.88 113.076 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' B' ' 8' ' ' ASP . 21.3 t -133.77 144.54 35.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 122.464 1.126 . . . . 3.44 112.437 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.522 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.2 OUTLIER -116.81 155.55 28.78 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 104.885 -2.265 . . . . 3.24 104.885 175.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.809 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.1 mt -59.99 -20.37 57.36 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 118.722 -1.191 . . . . 2.75 110.59 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -37.2 86.38 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.284 -0.871 . . . . 4.42 109.999 177.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.502 ' HB2' HG12 ' B' ' 4' ' ' VAL . 30.3 m-20 -65.44 -44.73 86.4 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 114.067 -1.424 . . . . 3.77 110.472 -178.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.524 HG12 ' HE3' ' B' ' 42' ' ' MET . 89.9 t -67.46 -40.13 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 108.634 -0.876 . . . . 2.69 108.634 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.516 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -59.96 -46.98 87.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.15 -1.386 . . . . 3.33 111.318 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -65.99 -49.46 67.72 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.302 0.572 . . . . 5.21 109.636 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.859 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 42.4 t80 -59.81 -28.18 67.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.065 -0.971 . . . . 3.88 111.274 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.451 ' HB1' HG21 ' B' ' 15' ' ' VAL . . . -86.66 -26.48 24.32 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.283 -0.636 . . . . 2.94 109.283 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.38 33.37 10.52 Favored Glycine 0 CA--C 1.499 -0.932 0 CA-C-N 115.069 -0.969 . . . . 3.68 111.212 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.607 HG23 HG12 ' B' ' 20' ' ' VAL . 10.0 m -139.85 151.4 22.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 114.679 -0.761 . . . . 3.67 112.078 -176.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -51.1 156.59 1.04 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.536 0.684 . . . . 4.41 109.755 178.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.809 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 90.4 t80 -56.62 -58.31 8.6 Favored 'General case' 0 CA--C 1.49 -1.363 0 CA-C-N 115.475 -0.784 . . . . 3.82 109.373 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.877 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -72.69 7.74 1.79 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 120.393 -0.523 . . . . 5.51 111.571 178.571 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.607 HG22 ' HB ' ' B' ' 15' ' ' VAL . 22.4 m -72.5 -62.62 1.38 Allowed 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 101.996 -3.335 . . . . 4.01 101.996 170.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.75 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 0.8 OUTLIER -74.89 -35.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 113.085 -1.871 . . . . 2.96 113.604 178.338 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.877 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 73.9 m -60.39 -34.98 74.68 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.167 0.508 . . . . 3.31 110.4 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -33.39 74.64 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.137 -1.431 . . . . 5.7 107.137 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.98 ' HA ' ' HB1' ' B' ' 27' ' ' ALA . 43.0 t -65.66 -49.84 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.034 -1.439 . . . . 3.44 109.387 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.97 -20.23 26.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.847 -1.07 . . . . 3.12 111.851 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 9.3 m-80 -97.68 -10.52 24.86 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.94 -0.704 . . . . 4.07 112.724 -176.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.444 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 3.6 pt20 163.63 -44.48 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.115 0.566 . . . . 6.22 111.36 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.98 ' HB1' ' HA ' ' B' ' 23' ' ' VAL . . . 52.46 45.06 29.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.776 0.83 . . . . 4.48 112.526 -178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.2 p -77.66 -11.15 59.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.42 0.629 . . . . 5.9 110.606 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -135.4 85.17 2.15 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.652 -0.703 . . . . 6.89 109.9 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -158.89 -171.4 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 C-N-CA 122.869 0.467 . . . . 4.57 110.764 -178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 6.3 p -112.84 174.09 6.07 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.74 -0.664 . . . . 4.12 109.816 177.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -68.54 -64.11 0.93 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.357 0.503 . . . . 3.55 112.357 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -49.36 -35.36 18.39 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.991 0.737 . . . . 5.39 112.991 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.692 ' O ' HG11 ' B' ' 38' ' ' VAL . 92.4 m -61.57 -50.71 71.54 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 111.823 0.305 . . . . 3.3 111.823 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.418 ' O ' HG23 ' B' ' 38' ' ' VAL . 40.5 mtm-85 -61.58 -40.15 93.74 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 121.01 0.433 . . . . 4.15 110.758 -178.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 20.4 mt-10 -68.07 -32.66 73.16 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.644 -0.707 . . . . 2.94 111.256 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -73.5 -44.33 58.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 3.51 110.38 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.881 HG21 HG12 ' B' ' 23' ' ' VAL . 2.8 m -68.01 -42.7 85.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.062 -0.718 . . . . 2.65 109.062 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 4.6 mt-10 -57.6 -44.15 85.22 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.334 -0.848 . . . . 3.0 109.546 177.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -63.44 -52.03 63.17 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 109.368 -0.605 . . . . 2.67 109.368 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.859 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.87 -52.0 58.99 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.345 0.869 . . . . 2.68 113.345 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.524 ' HE3' HG12 ' B' ' 9' ' ' VAL . 15.3 ptp -64.32 -31.8 73.14 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 121.164 -0.214 . . . . 2.74 110.508 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.11 -42.42 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 3.43 111.229 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 54.3 mm-40 -69.78 -44.89 69.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.432 0.634 . . . . 3.81 111.037 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.0 mt -80.2 1.05 29.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.288 -0.869 . . . . 3.86 110.803 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 t30 74.64 -51.81 0.68 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.449 0.7 . . . . 4.39 109.971 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.755 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 6.7 t80 51.21 98.45 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 O-C-N 124.108 0.88 . . . . 3.22 112.917 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.11 154.17 86.47 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.344 -0.843 . . . . 4.29 110.339 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.73 54.37 2.5 Favored 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 122.879 2.386 . . . . 4.15 113.126 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.43 ' ND2' ' HB3' ' B' ' 56' ' ' LEU . 63.5 t30 -153.86 72.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.185 0.517 . . . . 5.63 110.23 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.725 ' HD2' HD12 ' B' ' 6' ' ' LEU . 7.7 ptt180 -73.77 -42.59 60.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.049 -0.523 . . . . 8.97 109.9 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.56 ' HB3' " H4'" ' C' ' 11' ' ' ' DT' . 1.4 p -95.85 -100.14 0.17 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.771 -0.65 . . . . 6.12 110.32 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -161.88 82.27 0.57 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 121.164 0.507 . . . . 7.92 110.568 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -88.45 -55.8 3.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.626 -0.715 . . . . 11.04 110.672 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -134.39 19.89 3.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.055 -0.521 . . . . 12.93 110.278 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.43 ' HB3' ' ND2' ' B' ' 50' ' ' ASN . 1.3 tm? -163.24 123.23 2.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.577 -0.738 . . . . 12.29 109.362 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.439 ' HB1' H5'' ' D' ' 12' ' ' ' DC' . . . -129.42 -174.8 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.361 -0.381 . . . . 12.46 110.877 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.22 136.47 5.34 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.002 -0.618 . . . . 14.22 112.065 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -161.52 143.52 11.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.602 0.239 . . . . 16.96 110.678 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -152.87 162.67 41.01 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.571 -0.529 . . . . 18.68 109.571 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.607 ' HB2' H5'' ' C' ' 9' ' ' ' DT' . 7.5 t -146.48 -177.06 5.43 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.792 -0.447 . . . . 19.62 109.792 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 C--O 1.246 0.911 0 O-C-N 123.904 0.753 . . . . 21.41 110.89 179.86 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.506 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.594 0 O4'-C1'-C2' 107.043 0.857 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.404 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-N19 109.165 1.706 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O3'-P-O5' 101.055 -1.55 . . . . 6.08 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-N19 109.163 1.703 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 O3'-P-O5' 100.345 -1.923 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O3'-P-O5' 100.276 -1.96 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O3'-P-O5' 100.23 -1.984 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O3'-P-O5' 100.312 -1.941 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.607 H5'' ' HB2' ' B' ' 61' ' ' SER . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O3'-P-O5' 100.047 -2.081 . . . . 6.24 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.472 ' C8 ' ' H71' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.122 0 O3'-P-O5' 100.186 -2.007 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.61 ' P ' ' HH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 O3'--C3' 1.419 -0.897 0 C5'-C4'-C3' 111.015 -2.457 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.428 ' OP2' H2'' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.417 -1.107 0 O3'-P-O5' 98.715 -2.782 . . . . 4.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.491 H5'' ' HE2' ' A' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.422 -1.148 0 C5'-C4'-C3' 111.719 -1.988 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.592 " H4'" ' HB2' ' A' ' 62' ' ' LEU . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O3'-P-O5' 99.766 -2.228 . . . . 7.65 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 O3'-P-O5' 100.159 -2.022 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 O3'-P-O5' 100.637 -1.77 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O4'-C1'-N19 108.883 1.354 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.222 1.02 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.561 0 O4'-C1'-N19 108.797 1.246 . . . . 7.58 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.062 0 O4'-C1'-N19 109.043 1.554 . . . . 6.78 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-N19 109.242 1.803 . . . . 6.41 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.42 -0.826 0 O3'-P-O5' 99.941 -2.136 . . . . 6.22 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O3'-P-O5' 100.753 -1.709 . . . . 7.47 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.091 0 O3'-P-O5' 100.356 -1.918 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.418 -1.0 0 O3'-P-O5' 99.626 -2.302 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.076 0 O3'-P-O5' 99.885 -2.166 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.052 0 O3'-P-O5' 99.768 -2.227 . . . . 6.48 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . 0.488 " O4'" ' HD2' ' A' ' 51' ' ' ARG . . . . . . . . 0 O5'--C5' 1.422 -1.14 0 O3'-P-O5' 99.826 -2.197 . . . . 5.24 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.114 0 O3'-P-O5' 99.361 -2.442 . . . . 4.6 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.439 H5'' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O3'--C3' 1.417 -1.061 0 O3'-P-O5' 99.692 -2.267 . . . . 4.71 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . 0.403 ' H73' ' C6 ' ' D' ' 12' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.417 -1.091 0 O3'-P-O5' 99.92 -2.148 . . . . 5.65 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O3'-P-O5' 99.963 -2.125 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O3'-P-O5' 100.501 -1.841 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.991 0 O4'-C1'-N19 109.233 1.791 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O3'-P-O5' 101.424 -1.356 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 107.071 0.883 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.855 0.36 . . . . 8.46 110.687 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -88.01 141.65 31.51 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 7.55 110.614 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -86.82 -109.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.773 2.316 . . . . 4.58 112.146 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.497 HG13 ' HB2' ' A' ' 8' ' ' ASP . 39.7 t -139.04 146.25 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.804 0.811 . . . . 3.82 110.908 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.475 ' N ' HG11 ' A' ' 4' ' ' VAL . 37.3 p -121.96 163.5 19.21 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 105.711 -1.959 . . . . 3.76 105.711 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.766 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.3 mt -59.78 -21.63 61.06 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 118.954 -1.099 . . . . 2.85 110.562 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -64.79 -38.78 92.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.273 -0.876 . . . . 4.61 110.632 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' HB2' HG13 ' A' ' 4' ' ' VAL . 16.4 m-20 -64.62 -45.59 86.21 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 114.413 -1.267 . . . . 4.13 110.423 -177.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.515 HG12 ' HE2' ' A' ' 42' ' ' MET . 84.1 t -68.09 -41.48 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 CA-C-N 115.535 -0.757 . . . . 2.91 109.092 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.531 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.65 -49.17 77.35 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.422 -1.263 . . . . 3.39 111.585 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -67.2 -47.85 69.68 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.729 -0.668 . . . . 5.24 109.777 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.805 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 49.3 t80 -61.48 -30.08 70.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.801 -0.636 . . . . 4.13 111.445 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB3' HG21 ' A' ' 15' ' ' VAL . . . -81.63 -27.29 34.21 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.839 0.828 . . . . 2.89 109.851 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.06 34.02 9.17 Favored Glycine 0 N--CA 1.44 -1.095 0 CA-C-N 114.629 -1.168 . . . . 3.45 110.702 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.65 HG13 HG23 ' A' ' 34' ' ' THR . 4.7 m -139.25 146.83 25.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.143 -1.028 . . . . 3.39 110.242 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 m -54.88 151.0 9.18 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.612 0.72 . . . . 4.52 110.809 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.59 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 58.1 t80 -52.51 -51.78 57.83 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 114.518 -1.219 . . . . 3.95 111.894 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -24.46 66.65 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.699 -1.137 . . . . 5.71 112.134 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -67.4 -60.86 2.23 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.818 0.342 . . . . 3.86 110.861 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.578 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 1.4 m -68.02 -28.54 41.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.034 -0.53 . . . . 3.01 112.03 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.2 m -55.85 -43.72 77.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.239 0.542 . . . . 3.29 109.697 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -70.62 -29.39 65.76 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.581 -0.736 . . . . 4.68 109.718 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.958 HG13 HG22 ' A' ' 38' ' ' VAL . 88.9 t -65.41 -44.21 94.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.106 -0.952 . . . . 3.04 110.022 -179.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.88 -20.82 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.498 0.666 . . . . 2.72 109.834 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.53 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 16.2 m-80 -102.0 4.59 40.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.722 -0.672 . . . . 3.68 110.845 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 47.1 mt-30 86.77 -41.09 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.474 1.11 . . . . 6.64 110.916 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' HB2' ' H ' ' A' ' 28' ' ' SER . . . 63.5 -121.34 0.55 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.782 0.676 . . . . 4.63 112.098 178.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.429 ' H ' ' HB2' ' A' ' 27' ' ' ALA . 33.5 p -166.22 -50.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.178 0.513 . . . . 5.4 111.362 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.6 ' HB3' ' OP2' ' C' ' 2' ' ' ' DG' . 53.5 m80 -99.89 -131.53 0.24 Allowed 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.874 -0.603 . . . . 6.16 109.981 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.415 HG11 ' OP2' ' C' ' 3' ' ' ' DA' . 33.6 t 73.93 150.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 115.32 -0.854 . . . . 4.47 111.147 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.05 175.43 10.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 3.8 112.259 -178.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.94 -64.41 0.91 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.608 -0.724 . . . . 3.6 112.566 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -50.07 -34.28 21.18 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.813 0.671 . . . . 4.97 112.813 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.694 ' O ' HG13 ' A' ' 38' ' ' VAL . 31.6 m -64.72 -44.08 91.34 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 121.176 -0.209 . . . . 3.04 111.056 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.507 ' HG3' HG11 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -63.01 -38.43 91.16 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 109.268 -0.642 . . . . 4.53 109.268 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 38.5 mt-10 -68.63 -34.23 75.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.763 -1.108 . . . . 3.55 110.526 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -70.57 -46.39 63.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.841 -0.618 . . . . 3.16 110.754 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.958 HG22 HG13 ' A' ' 23' ' ' VAL . 2.3 m -65.43 -44.91 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.478 -0.564 . . . . 2.68 109.478 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' N ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.57 -41.22 97.08 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.724 -0.671 . . . . 3.27 109.362 178.752 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.57 -56.22 22.27 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.414 -0.958 . . . . 2.9 108.414 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.805 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.67 -51.4 49.66 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 113.246 0.832 . . . . 2.89 113.246 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.535 ' HE2' ' HB3' ' A' ' 42' ' ' MET . 16.0 ptp -64.73 -32.39 74.04 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.865 -0.334 . . . . 2.88 110.445 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.93 65.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.423 . . . . 3.6 111.156 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 0.8 OUTLIER -69.09 -44.53 72.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.799 -0.637 . . . . 4.09 110.895 -179.231 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.1 mt -80.97 0.42 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.922 -0.581 . . . . 4.07 110.998 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 73.33 -45.82 0.62 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.601 0.76 . . . . 4.18 110.244 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.766 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.3 t80 54.09 87.09 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.798 0.808 . . . . 3.27 112.122 178.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.616 HD12 ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -110.86 112.51 55.84 Favored Pre-proline 0 N--CA 1.446 -0.627 0 CA-C-N 115.251 -0.886 . . . . 3.99 108.754 178.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -79.66 100.79 1.33 Allowed 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.798 2.332 . . . . 4.1 113.397 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.616 ' HB2' HD12 ' A' ' 48' ' ' ILE . 9.7 t30 -129.03 78.61 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.852 -0.613 . . . . 5.58 109.808 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.4 ttt-85 -99.71 48.27 0.94 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.851 -0.613 . . . . 9.64 110.419 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.35 109.17 4.23 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.999 0.904 . . . . 5.87 110.215 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -108.51 177.13 4.88 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 113.835 -1.529 . . . . 8.15 110.733 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -31.3 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.245 0.545 . . . . 10.55 110.377 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.56 -49.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.476 -0.783 . . . . 13.52 110.172 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.9 tp -179.76 -78.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.391 -0.822 . . . . 12.14 108.868 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.31 128.0 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.668 -0.696 . . . . 14.26 109.762 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.35 53.45 0.2 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.447 -0.882 . . . . 16.04 112.494 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt 64.86 -140.66 0.23 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 122.645 0.378 . . . . 17.98 111.03 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -98.18 9.97 41.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.079 0.466 . . . . 19.89 110.622 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.79 139.17 44.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 20.57 111.208 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 22.18 110.839 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ptp . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.068 0.461 . . . . 10.83 110.554 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -160.25 116.27 1.46 Allowed Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.659 -0.7 . . . . 8.7 110.291 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -72.89 -178.92 3.79 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.288 1.992 . . . . 4.88 111.0 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' B' ' 8' ' ' ASP . 60.1 t -70.23 138.53 21.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 122.251 1.024 . . . . 3.44 111.107 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.601 HG23 ' OP1' ' C' ' 11' ' ' ' DT' . 0.1 OUTLIER -107.84 153.45 22.99 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 104.761 -2.311 . . . . 3.24 104.761 176.535 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 1.116 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.3 mt -59.16 -21.23 59.06 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.849 -1.14 . . . . 2.75 110.452 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.471 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.47 -36.34 83.43 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.898 -1.046 . . . . 4.42 109.724 177.122 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.53 ' HB2' HG12 ' B' ' 4' ' ' VAL . 37.7 m-20 -65.88 -44.05 86.46 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.423 -1.262 . . . . 3.77 110.101 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.499 HG11 ' HE3' ' B' ' 42' ' ' MET . 79.7 t -67.58 -41.02 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.923 0.868 . . . . 2.69 109.014 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.474 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -60.8 -47.54 85.86 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.13 -1.396 . . . . 3.33 111.376 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.92 -48.65 73.39 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.68 -0.691 . . . . 5.21 109.252 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.841 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.4 t80 -60.87 -27.55 68.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.103 -0.953 . . . . 3.88 111.636 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.463 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -86.67 -25.68 24.7 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.51 0.672 . . . . 2.94 109.354 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.83 31.14 15.94 Favored Glycine 0 CA--C 1.496 -1.123 0 CA-C-N 115.031 -0.986 . . . . 3.68 111.624 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.684 HG21 HG12 ' B' ' 20' ' ' VAL . 13.5 m -139.89 151.38 21.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.621 -0.79 . . . . 3.67 110.395 -176.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -50.82 156.41 0.97 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.475 0.655 . . . . 4.41 110.653 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.781 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 59.6 t80 -51.5 -58.67 5.65 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 115.416 -0.811 . . . . 3.82 109.315 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.718 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.4 8.72 2.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.889 0.852 . . . . 5.51 112.621 179.547 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.589 HG22 ' HB ' ' B' ' 15' ' ' VAL . 52.2 m -74.46 -57.38 3.97 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 102.432 -3.173 . . . . 4.01 102.432 173.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.853 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -78.77 -34.68 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 111.995 -2.366 . . . . 2.96 113.22 175.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.718 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 20.1 m -64.94 -28.88 69.82 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 120.704 -1.247 . . . . 3.31 109.09 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.656 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 5.8 ttt180 -64.73 -36.01 82.92 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 106.952 -1.499 . . . . 5.7 106.952 176.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.991 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 82.8 t -62.72 -52.97 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 113.76 -1.563 . . . . 3.44 109.344 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -68.91 -20.31 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.348 -0.842 . . . . 3.12 111.91 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.56 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 0.9 OUTLIER -95.15 8.58 42.59 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 122.197 -0.314 . . . . 4.07 110.627 -178.524 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 0.8 OUTLIER 87.94 74.16 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.649 0 O-C-N 124.332 1.02 . . . . 6.22 108.354 178.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.991 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -69.87 103.01 2.09 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.572 -1.649 . . . . 4.48 112.478 -177.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.99 -15.02 42.82 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.941 0.401 . . . . 5.9 110.61 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.636 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 35.0 m-70 -137.38 91.34 2.6 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.407 -0.361 . . . . 6.89 111.188 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.674 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 4.5 m -149.25 177.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.667 -0.697 . . . . 4.57 110.256 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 15.6 m -114.81 163.39 15.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.684 0.278 . . . . 4.12 111.055 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.619 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -55.36 -68.38 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.549 -0.75 . . . . 3.55 112.7 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.495 ' O ' ' HD3' ' B' ' 37' ' ' LYS . 22.2 pttt -46.69 -39.36 11.32 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.29 0.478 . . . . 5.39 112.29 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.67 ' O ' HG12 ' B' ' 38' ' ' VAL . 9.4 m -59.52 -50.29 74.5 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 121.051 -0.26 . . . . 3.3 110.734 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.56 ' HA ' HG22 ' B' ' 38' ' ' VAL . 22.9 mtm180 -64.13 -35.19 79.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.354 -0.385 . . . . 4.15 110.071 -178.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.619 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 59.1 mt-10 -65.16 -36.32 83.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.989 -0.551 . . . . 2.94 110.385 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.495 ' HD3' ' O ' ' B' ' 33' ' ' LYS . 7.2 mtpp -78.43 -43.69 26.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.953 -0.567 . . . . 3.51 110.998 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.853 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.5 m -66.7 -45.14 88.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.737 -0.468 . . . . 2.65 109.737 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 11.0 mt-10 -59.7 -42.97 94.19 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.06 -0.719 . . . . 3.0 109.06 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.705 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.93 -54.3 43.74 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.151 -0.685 . . . . 2.67 109.151 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.841 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.38 -51.54 53.71 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 113.077 0.769 . . . . 2.68 113.077 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.499 ' HE3' HG11 ' B' ' 9' ' ' VAL . 17.0 ptp -65.29 -32.79 74.63 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 120.795 -0.362 . . . . 2.74 110.271 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.73 -42.45 70.54 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.9 0.381 . . . . 3.43 111.546 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.705 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.1 mm-40 -68.76 -44.56 73.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.925 -0.579 . . . . 3.81 110.475 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.5 mt -81.04 1.08 32.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.432 -0.804 . . . . 3.86 110.406 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.3 t30 75.3 -57.23 0.6 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.759 0.824 . . . . 4.39 109.814 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 1.116 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 11.2 t80 53.01 107.86 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 O-C-N 124.12 0.888 . . . . 3.22 113.107 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.11 150.18 52.87 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.09 -0.959 . . . . 4.29 110.843 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.59 140.91 93.63 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.689 2.259 . . . . 4.15 112.597 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -148.47 94.3 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.899 -0.591 . . . . 5.63 110.009 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -157.52 81.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.913 -0.585 . . . . 8.97 109.937 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.419 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 2.1 m -82.12 -65.93 0.95 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.164 -0.471 . . . . 6.12 111.282 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' B' ' 52' ' ' CYS . . . 64.73 -157.51 0.3 Allowed 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 123.499 0.499 . . . . 7.92 110.429 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -132.56 10.3 4.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.1 0.476 . . . . 11.04 110.53 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.435 ' HG3' HD12 ' B' ' 56' ' ' LEU . 0.5 OUTLIER -161.33 19.43 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.84 -0.618 . . . . 12.93 110.719 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.435 HD12 ' HG3' ' B' ' 55' ' ' GLN . 3.8 mp -133.97 30.1 3.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 12.29 110.332 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.3 116.08 10.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.787 -0.642 . . . . 12.46 110.561 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.04 -82.03 1.38 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.863 -0.684 . . . . 14.22 111.604 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -129.26 -75.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.966 -0.383 . . . . 16.96 109.966 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -140.26 152.4 45.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.318 -0.401 . . . . 18.68 110.361 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 3.7 m -124.81 151.98 44.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.441 -0.345 . . . . 19.62 110.506 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.253 -0.879 . . . . 21.41 110.291 -179.829 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.453 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.59 0 O4'-C1'-N19 108.723 1.154 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.6 ' OP2' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.423 -1.074 0 O4'-C1'-N19 109.585 2.231 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.42 ' OP2' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 109.097 1.621 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-N19 109.214 1.767 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-N19 108.801 1.252 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-N19 109.411 2.013 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-N19 109.655 2.319 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 109.149 1.686 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.401 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O3'-P-O5' 101.198 -1.475 . . . . 6.24 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.401 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-N19 109.195 1.743 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.601 ' OP1' HG23 ' B' ' 5' ' ' THR . . . . . . . . 0 O3'--C3' 1.419 -0.912 0 O4'-C1'-N19 109.617 2.271 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O3'-P-O5' 99.322 -2.462 . . . . 4.84 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O3'-P-O5' 99.867 -2.175 . . . . 6.08 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 O3'-P-O5' 100.707 -1.733 . . . . 7.65 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.039 0 O4'-C1'-N19 109.133 1.667 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O3'-P-O5' 100.453 -1.867 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.016 0 O3'-P-O5' 101.511 -1.31 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 N19-C1'-C2' 115.78 0.988 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 O4'-C1'-C2' 107.027 0.843 . . . . 7.58 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.636 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.423 -1.061 0 O4'-C1'-N19 109.605 2.257 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.674 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.422 -1.1 0 O4'-C1'-N19 110.027 2.784 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.488 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.613 0 O3'-P-O5' 99.925 -2.145 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-N19 108.725 1.157 . . . . 7.47 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.538 2.173 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O4'-C1'-N19 109.536 2.17 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 109.156 1.695 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O3'-P-O5' 100.749 -1.711 . . . . 6.48 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O3'-P-O5' 101.315 -1.413 . . . . 5.24 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . 0.42 " H2'" ' HH ' ' A' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C1'-N19 109.67 2.337 . . . . 4.6 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 O4'-C1'-N19 109.464 2.08 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O3'-P-O5' 100.364 -1.914 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-N19 109.232 1.79 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 O4'-C1'-N19 109.179 1.724 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-N19 109.158 1.698 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O3'-P-O5' 101.645 -1.239 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 O4'-C1'-C2' 107.123 0.93 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.462 -0.199 . . . . 8.46 110.462 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -55.93 126.03 64.69 Favored Pre-proline 0 C--O 1.232 0.181 0 O-C-N 123.341 0.401 . . . . 7.55 110.965 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.48 111.61 0.88 Allowed 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.761 2.308 . . . . 4.58 111.355 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.648 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 62.1 t -73.68 144.12 12.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 122.094 0.95 . . . . 3.82 111.394 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.512 HG21 ' OP1' ' D' ' 11' ' ' ' DT' . 0.0 OUTLIER -114.55 159.97 19.79 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 105.809 -1.923 . . . . 3.76 105.809 177.124 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.746 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 3.1 mt -58.08 -24.36 58.27 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 119.653 -0.819 . . . . 2.85 112.056 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -64.87 -36.76 85.4 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.867 0.841 . . . . 4.61 110.497 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.509 ' HB2' HG11 ' A' ' 4' ' ' VAL . 1.1 m-20 -65.58 -46.04 80.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.022 -1.445 . . . . 4.13 110.046 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.519 HG13 ' HE1' ' A' ' 42' ' ' MET . 87.2 t -67.81 -40.88 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 115.339 -0.846 . . . . 2.91 109.393 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.516 ' HA ' HG12 ' A' ' 20' ' ' VAL . . . -58.69 -46.86 86.32 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.511 -1.222 . . . . 3.39 111.594 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -49.16 64.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.465 0.65 . . . . 5.24 109.427 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.783 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.4 t80 -61.79 -27.59 68.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.707 -1.133 . . . . 4.13 111.653 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HB1' HG22 ' A' ' 15' ' ' VAL . . . -84.62 -27.66 27.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.631 0.729 . . . . 2.89 109.573 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.91 34.56 8.86 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 114.85 -1.068 . . . . 3.45 110.997 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.564 HG11 HG23 ' A' ' 34' ' ' THR . 4.3 m -139.66 147.05 24.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.391 -0.904 . . . . 3.39 110.075 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 m -56.14 149.2 16.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.999 -0.68 . . . . 4.52 110.688 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.653 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 76.3 t80 -49.68 -51.03 41.14 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.603 -1.18 . . . . 3.95 112.079 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -23.67 66.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.104 -0.953 . . . . 5.71 111.903 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.8 m -67.1 -61.6 1.85 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.851 0.358 . . . . 3.86 110.063 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.524 ' HB ' ' CG1' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -69.05 -29.05 41.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.888 -0.596 . . . . 3.01 111.305 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.3 t -58.77 -41.41 86.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.359 -0.608 . . . . 3.29 109.359 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -31.19 68.83 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.754 -0.832 . . . . 4.68 108.754 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.054 HG13 HG21 ' A' ' 38' ' ' VAL . 76.8 t -66.69 -50.66 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 114.416 -1.265 . . . . 3.04 110.588 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.403 HG11 ' ND2' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -65.06 -18.36 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.17 -0.923 . . . . 2.72 111.55 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.403 ' ND2' HG11 ' A' ' 24' ' ' VAL . 10.5 m-80 -104.78 -11.58 16.74 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.21 0.819 . . . . 3.68 113.21 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.42 -58.44 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.558 0.577 . . . . 6.64 112.558 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 1.035 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . 56.1 48.34 17.77 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.232 0.539 . . . . 4.63 111.211 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 t -74.61 -16.95 60.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 5.4 110.393 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -143.36 99.19 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.184 -0.673 . . . . 6.16 109.184 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG21 ' OP2' ' C' ' 3' ' ' ' DA' . 7.5 p -167.28 158.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.829 -0.623 . . . . 4.47 110.092 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.4 m -72.61 171.37 12.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.355 0.597 . . . . 3.8 112.01 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.13 -68.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.211 -0.904 . . . . 3.6 111.875 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -52.3 -32.27 36.84 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.28 0.474 . . . . 4.97 112.28 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.692 ' O ' HG13 ' A' ' 38' ' ' VAL . 10.6 m -60.77 -47.27 87.09 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 121.033 -0.267 . . . . 3.04 111.447 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -64.57 -38.5 91.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.205 0.526 . . . . 4.53 109.598 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 24.8 mt-10 -67.38 -33.22 74.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.038 -0.983 . . . . 3.55 110.714 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -75.7 -43.87 45.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.98 -0.554 . . . . 3.16 110.744 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.054 HG21 HG13 ' A' ' 23' ' ' VAL . 3.0 m -64.55 -46.87 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.325 -0.62 . . . . 2.68 109.325 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.487 ' N ' HG22 ' A' ' 38' ' ' VAL . 2.7 mt-10 -61.44 -41.13 96.73 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.004 -0.543 . . . . 3.27 109.543 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.31 -57.14 13.54 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 108.637 -0.875 . . . . 2.9 108.637 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.783 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.21 -51.3 45.28 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 113.085 0.772 . . . . 2.89 113.085 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.519 ' HE1' HG13 ' A' ' 9' ' ' VAL . 17.4 ptp -64.16 -32.24 73.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.743 -0.383 . . . . 2.88 110.401 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.17 -47.15 52.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.946 0.403 . . . . 3.6 110.804 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.408 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -66.76 -40.12 88.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.681 -0.691 . . . . 4.09 110.117 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.6 mt -81.53 -0.77 43.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 4.07 110.708 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 74.25 -48.0 0.65 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.526 0.73 . . . . 4.18 111.08 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.746 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.4 t80 49.9 76.01 0.15 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.649 0.738 . . . . 3.27 111.589 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.7 tp -85.33 135.64 38.68 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.127 -0.942 . . . . 3.99 111.993 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -93.68 -163.94 0.11 Allowed 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 123.265 2.643 . . . . 4.1 111.978 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -153.49 -68.49 0.15 Allowed 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.803 0.297 . . . . 5.58 111.803 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -90.36 -71.94 0.59 Allowed 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 120.764 0.316 . . . . 9.64 110.726 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 m 178.33 -70.6 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 108.463 -0.94 . . . . 5.87 108.463 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -179.99 -160.14 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.374 -1.285 . . . . 8.15 108.176 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -64.76 -77.73 0.06 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.779 -0.452 . . . . 10.55 109.779 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -143.01 27.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.039 0.447 . . . . 13.52 110.281 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt 63.06 25.33 14.93 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.515 -0.766 . . . . 12.14 110.353 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.8 176.62 12.12 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.067 -0.969 . . . . 14.26 109.186 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.98 -176.58 50.93 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.769 -0.729 . . . . 16.04 112.623 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -84.04 90.65 7.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.865 0.364 . . . . 17.98 110.727 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -72.54 106.08 4.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.943 -0.571 . . . . 19.89 110.446 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -1.8 49.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.014 -0.539 . . . . 20.57 110.685 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 tp . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 22.18 110.212 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mtp . . . . . 0 N--CA 1.459 0.02 0 CA-C-O 120.978 0.418 . . . . 10.83 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.785 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 61.1 mttm -124.1 -59.84 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.959 -0.564 . . . . 8.7 110.522 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.785 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 19.1 Cg_endo -93.59 140.6 1.62 Allowed 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.422 2.081 . . . . 4.88 112.473 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 5' ' ' THR . 61.3 t -61.93 148.09 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 122.062 0.934 . . . . 3.44 111.747 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.562 HG21 ' OP1' ' C' ' 11' ' ' ' DT' . 0.3 OUTLIER -101.9 147.56 26.39 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.017 -1.845 . . . . 3.24 106.017 176.459 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.818 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.3 mt -58.92 -22.78 60.39 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.164 -1.014 . . . . 2.75 110.191 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.485 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.0 OUTLIER -63.66 -37.8 88.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.978 -1.01 . . . . 4.42 109.582 177.373 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' B' ' 5' ' ' THR . 2.3 m-20 -67.32 -42.03 84.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.839 -1.528 . . . . 3.77 109.933 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.517 HG11 ' HE2' ' B' ' 42' ' ' MET . 76.3 t -68.71 -44.17 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 115.318 -0.856 . . . . 2.69 109.387 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.523 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -58.48 -46.83 85.85 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.334 -1.303 . . . . 3.33 111.25 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.62 -48.8 73.53 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.484 -0.78 . . . . 5.21 109.525 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.78 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.4 t80 -61.57 -29.01 69.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.148 -0.933 . . . . 3.88 111.244 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.464 ' HB3' HG21 ' B' ' 15' ' ' VAL . . . -83.26 -26.33 30.8 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.716 0.77 . . . . 2.94 109.438 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.45 32.09 12.42 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 114.456 -1.247 . . . . 3.68 111.295 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.545 HG23 HG12 ' B' ' 20' ' ' VAL . 10.3 m -140.09 152.47 21.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.009 -0.595 . . . . 3.67 112.203 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.456 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -51.06 159.53 0.59 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.6 0.714 . . . . 4.41 110.053 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.818 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 75.4 t80 -57.46 -56.63 19.32 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.379 -0.828 . . . . 3.82 110.259 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.84 9.66 2.25 Favored 'General case' 0 CA--C 1.487 -1.479 0 CA-C-N 115.5 -0.773 . . . . 5.51 110.661 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.542 ' O ' HG21 ' B' ' 23' ' ' VAL . 86.2 m -73.59 -57.62 3.87 Favored 'General case' 0 N--CA 1.407 -2.613 0 N-CA-C 101.561 -3.496 . . . . 4.01 101.561 172.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.884 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.1 m -78.43 -33.17 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.631 -2.077 . . . . 2.96 113.596 177.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -32.12 73.48 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.847 -1.158 . . . . 3.31 110.123 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.505 ' HD3' HG13 ' B' ' 30' ' ' VAL . 0.1 OUTLIER -68.0 -32.84 73.52 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.156 -1.424 . . . . 5.7 107.156 177.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.98 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 54.5 t -66.03 -52.63 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 113.74 -1.573 . . . . 3.44 110.083 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.483 ' CG2' ' HE3' ' B' ' 42' ' ' MET . 50.4 t -66.86 -20.19 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.659 -1.155 . . . . 3.12 112.175 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 2.4 m-80 -92.54 -11.25 34.98 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.612 -0.835 . . . . 4.07 112.404 -176.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.452 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 2.1 pt20 161.99 -46.21 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.981 0.8 . . . . 6.22 111.09 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.98 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 50.25 41.31 24.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.454 -0.793 . . . . 4.48 112.609 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -63.31 -27.84 69.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.784 0.326 . . . . 5.9 111.411 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -129.49 86.45 2.42 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.107 0.48 . . . . 6.89 109.998 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.548 HG21 HH11 ' B' ' 35' ' ' ARG . 26.7 m -150.18 -179.55 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 CA-C-N 115.552 -0.749 . . . . 4.57 110.845 -178.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' B' ' 35' ' ' ARG . 71.5 m -99.57 165.31 11.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.908 -0.587 . . . . 4.12 110.213 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.58 -60.62 2.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.889 -0.596 . . . . 3.55 112.456 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -49.9 17.94 Favored 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 123.642 0.588 . . . . 5.39 111.897 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.705 ' O ' HG11 ' B' ' 38' ' ' VAL . 7.3 m -49.77 -46.83 51.11 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.73 -0.668 . . . . 3.3 111.864 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.548 HH11 HG21 ' B' ' 30' ' ' VAL . 67.9 mtm-85 -63.2 -35.28 79.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.874 0.369 . . . . 4.15 110.327 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -67.06 -43.14 83.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.579 -0.737 . . . . 2.94 110.795 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -70.28 -43.43 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.574 -0.285 . . . . 3.51 111.71 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.884 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -67.52 -47.42 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.785 -0.366 . . . . 2.65 110.429 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.3 mm-40 -62.99 -37.82 88.68 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.239 -0.652 . . . . 3.0 109.239 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.27 -55.16 37.1 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.292 -1.003 . . . . 2.67 108.292 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.78 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.9 -51.64 49.8 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.378 -0.828 . . . . 2.68 113.058 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.517 ' HE2' HG11 ' B' ' 9' ' ' VAL . 18.9 ptp -64.23 -32.67 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.908 0.385 . . . . 2.74 110.596 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.57 -45.73 61.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.184 -0.462 . . . . 3.43 110.936 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.475 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.4 OUTLIER -66.77 -41.95 86.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.626 -0.716 . . . . 3.81 111.147 -178.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.9 mt -79.36 -2.43 41.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 3.86 111.289 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 t30 58.09 68.62 0.81 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 122.35 1.071 . . . . 4.39 109.542 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.607 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 1.7 t80 -77.67 73.92 4.24 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.286 -1.325 . . . . 3.22 110.879 -178.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.421 HG13 ' HD2' ' B' ' 49' ' ' PRO . 5.5 tp -60.57 134.11 91.6 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 114.706 -1.133 . . . . 4.29 111.255 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.421 ' HD2' HG13 ' B' ' 48' ' ' ILE . 84.2 Cg_endo -83.85 -43.68 0.07 OUTLIER 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.577 2.184 . . . . 4.15 114.374 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -155.33 107.83 2.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.357 0.598 . . . . 5.63 110.595 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -118.21 14.23 13.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.59 -0.732 . . . . 8.97 110.015 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.494 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 81.0 m -93.2 -33.03 14.16 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.847 -0.615 . . . . 6.12 111.481 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.494 ' HB1' ' O ' ' B' ' 52' ' ' CYS . . . 74.66 -169.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 124.093 0.871 . . . . 7.92 110.896 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -84.01 -92.7 0.08 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.215 -0.448 . . . . 11.04 111.796 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -74.69 -19.09 60.4 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.571 -0.286 . . . . 12.93 111.613 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.459 HD12 ' HD3' ' B' ' 59' ' ' LYS . 37.0 tp -61.55 -26.78 68.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.121 -0.49 . . . . 12.29 111.855 -178.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.36 -25.71 65.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.404 -0.362 . . . . 12.46 111.702 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.09 -103.98 2.87 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.69 -0.767 . . . . 14.22 112.551 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.459 ' HD3' HD12 ' B' ' 56' ' ' LEU . 18.7 mtmm 72.35 82.08 0.14 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.461 0.704 . . . . 16.96 110.232 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -90.08 109.04 20.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.837 -0.62 . . . . 18.68 110.265 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 3.0 m -118.86 -21.55 7.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.156 -0.475 . . . . 19.62 111.176 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.445 -0.788 . . . . 21.41 110.537 -179.336 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.401 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.487 0 O4'-C1'-N19 108.527 0.909 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.431 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.136 0 O4'-C1'-N19 109.417 2.021 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.431 ' OP2' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 O4'-C1'-N19 109.246 1.807 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 O3'-P-O5' 100.54 -1.821 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-N19 109.022 1.527 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O4'-C1'-N19 109.467 2.083 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-N19 109.564 2.205 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-N19 109.332 1.915 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.422 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O3'-P-O5' 101.014 -1.572 . . . . 6.24 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.422 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-N19 109.08 1.601 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.562 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-N19 109.922 2.653 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.07 0 O3'-P-O5' 99.516 -2.36 . . . . 4.84 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.411 ' C6 ' ' H73' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O3'-P-O5' 99.882 -2.167 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.411 ' H73' ' C6 ' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O3'-P-O5' 100.775 -1.697 . . . . 7.65 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O4'-C1'-N19 109.3 1.875 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O3'-P-O5' 100.474 -1.856 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O3'-P-O5' 101.635 -1.245 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 N19-C1'-C2' 115.836 1.023 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . 0.506 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O5'-C5'-C4' 111.496 0.926 . . . . 7.58 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.442 H2'' ' OP2' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C1'-N19 109.639 2.299 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.467 H2'' ' C7 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 O4'-C1'-N19 109.917 2.646 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.467 ' C7 ' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.521 -0.711 0 O3'-P-O5' 99.83 -2.195 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . 0.412 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 O4'-C1'-N19 108.99 1.487 . . . . 7.47 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-N19 109.624 2.28 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C1'-N19 109.456 2.07 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-N19 109.166 1.708 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O3'-P-O5' 100.816 -1.676 . . . . 6.48 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 109.14 1.675 . . . . 5.24 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . 0.512 ' OP1' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 O3'--C3' 1.419 -0.908 0 O4'-C1'-N19 109.81 2.513 . . . . 4.6 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-N19 109.557 2.196 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 O3'-P-O5' 99.898 -2.159 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O3'-P-O5' 100.685 -1.745 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C1'-N19 109.247 1.809 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O3'-P-O5' 100.836 -1.665 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O3'-P-O5' 101.538 -1.296 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 N19-C1'-C2' 115.594 0.871 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.483 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 110.573 -0.158 . . . . 8.46 110.573 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 1' ' ' MET . 3.1 mmmp? 76.68 124.84 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.643 0 C-N-CA 123.755 0.822 . . . . 7.55 111.827 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 3.6 Cg_exo -82.48 -169.86 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.381 2.721 . . . . 4.58 113.283 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.497 HG12 ' HB2' ' A' ' 8' ' ' ASP . 93.6 t -106.55 148.09 11.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.209 -0.905 . . . . 3.82 111.376 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.477 ' N ' HG13 ' A' ' 4' ' ' VAL . 41.5 p -111.91 161.96 15.83 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 106.639 -1.615 . . . . 3.76 106.639 176.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.663 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 1.9 mt -59.6 -23.41 62.94 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 118.838 -1.145 . . . . 2.85 110.949 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.63 -38.78 92.16 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.815 0.817 . . . . 4.61 110.657 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' HB2' HG12 ' A' ' 4' ' ' VAL . 37.6 m-20 -65.6 -43.96 88.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.196 -1.365 . . . . 4.13 110.612 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.518 HG12 ' HE1' ' A' ' 42' ' ' MET . 86.8 t -68.12 -40.67 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 108.934 -0.765 . . . . 2.91 108.934 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' ' 17' ' ' TYR . . . -58.27 -47.2 84.37 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.269 -1.332 . . . . 3.39 111.347 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.5 -50.21 64.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.342 0.591 . . . . 5.24 109.64 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.86 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.0 t80 -60.97 -27.8 68.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.96 -1.018 . . . . 4.13 111.633 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.6 -27.54 29.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.771 0.796 . . . . 2.89 109.591 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.89 33.59 9.68 Favored Glycine 0 N--CA 1.44 -1.067 0 CA-C-N 114.778 -1.101 . . . . 3.45 110.893 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.547 HG12 HG21 ' A' ' 34' ' ' THR . 5.8 m -138.16 146.49 26.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.245 -0.977 . . . . 3.39 109.883 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.8 m -56.2 150.49 14.16 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.612 0.72 . . . . 4.52 110.22 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.647 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 71.6 t80 -51.56 -50.49 59.99 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.591 -1.186 . . . . 3.95 112.351 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.422 HE21 ' HB3' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -64.35 -20.54 66.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.715 -1.13 . . . . 5.71 111.475 -176.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 23' ' ' VAL . 7.4 m -69.22 -61.06 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 3.86 110.301 178.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.548 ' HB ' ' CG1' ' A' ' 38' ' ' VAL . 1.1 m -68.34 -28.75 41.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.066 -0.515 . . . . 3.01 112.243 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.8 m -55.61 -44.97 77.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.01 0.433 . . . . 3.29 110.059 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.434 HH11 HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -70.4 -28.69 65.27 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.867 -0.606 . . . . 4.68 109.476 179.216 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.03 HG11 HG21 ' A' ' 38' ' ' VAL . 93.5 t -66.58 -51.0 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.244 -0.889 . . . . 3.04 110.04 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.485 HG12 ' ND2' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -66.13 -20.17 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.224 -0.898 . . . . 2.72 111.631 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.637 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 20.2 m-80 -103.88 12.51 34.32 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.812 0.671 . . . . 3.68 112.812 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.637 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 17.2 mm-40 102.08 79.22 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.538 1.135 . . . . 6.64 109.471 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.887 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -58.19 136.81 57.34 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 113.637 -1.62 . . . . 4.63 112.029 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.13 121.77 9.21 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 108.01 -1.108 . . . . 5.4 108.01 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 69.31 68.95 0.26 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.111 -0.95 . . . . 6.16 109.65 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.581 HG23 ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -156.24 166.3 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 114.532 -1.213 . . . . 4.47 108.685 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.2 p -80.12 162.89 24.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.281 0.563 . . . . 3.8 111.584 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.589 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.76 -51.35 27.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.237 -0.892 . . . . 3.6 110.882 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.457 ' HA ' ' OE1' ' A' ' 36' ' ' GLU . 14.3 ptmt -48.45 -41.95 30.97 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.778 0.674 . . . . 4.97 112.078 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.718 ' O ' HG13 ' A' ' 38' ' ' VAL . 87.1 m -57.53 -48.23 79.84 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 121.158 -0.217 . . . . 3.04 110.822 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -62.58 -34.52 77.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.098 0.475 . . . . 4.53 110.036 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 30.4 mt-10 -66.92 -42.19 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.439 -0.8 . . . . 3.55 111.398 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.504 ' HE3' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -77.84 -37.31 48.74 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 120.628 -0.429 . . . . 3.16 111.775 -178.66 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.03 HG21 HG11 ' A' ' 23' ' ' VAL . 4.1 m -62.98 -45.0 99.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 108.494 -0.928 . . . . 2.68 108.494 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.492 ' N ' HG22 ' A' ' 38' ' ' VAL . 5.3 mt-10 -61.67 -43.24 99.23 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.518 -0.764 . . . . 3.27 109.321 178.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.581 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.84 -54.83 40.38 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.03 -0.729 . . . . 2.9 109.03 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.86 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.88 -51.79 54.3 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 113.417 0.895 . . . . 2.89 113.417 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.518 ' HE1' HG12 ' A' ' 9' ' ' VAL . 18.1 ptp -64.17 -32.02 73.44 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.781 -0.367 . . . . 2.88 110.542 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.71 -44.97 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 3.6 111.063 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 5.1 mm-40 -68.08 -43.22 79.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.808 -0.633 . . . . 4.09 110.578 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.8 mt -80.46 0.68 32.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.45 -0.795 . . . . 4.07 110.649 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 8.1 t30 75.44 -51.62 0.65 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.759 0.662 . . . . 4.18 110.374 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.663 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 7.1 t80 43.82 90.8 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 O-C-N 124.138 0.899 . . . . 3.27 112.247 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.67 140.78 4.29 Favored Pre-proline 0 N--CA 1.466 0.332 0 CA-C-N 115.086 -0.961 . . . . 3.99 112.133 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.629 ' O ' ' HA ' ' B' ' 53' ' ' ALA . 91.9 Cg_endo -79.34 37.15 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.928 2.419 . . . . 4.1 113.115 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -83.24 59.42 4.99 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.293 -0.632 . . . . 5.58 109.293 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -136.29 89.56 2.48 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.749 -0.66 . . . . 9.64 111.4 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 76.3 m -116.34 95.52 5.11 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.878 0.847 . . . . 5.87 108.799 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.39 115.49 3.59 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 113.478 -1.692 . . . . 8.15 111.588 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.562 ' HG2' HD13 ' B' ' 48' ' ' ILE . 6.0 mt-30 -99.92 -75.79 0.56 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.995 -0.548 . . . . 10.55 110.049 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -88.2 -51.18 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 13.52 110.132 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.4 tp 61.14 59.27 2.03 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.592 -0.731 . . . . 12.14 111.074 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.38 112.54 3.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 14.26 110.78 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.547 ' H ' " H5'" ' D' ' 13' ' ' ' DT' . . . -109.66 35.3 4.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.943 -0.646 . . . . 16.04 112.145 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -159.66 104.81 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.117 -0.327 . . . . 17.98 110.117 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -107.83 -31.68 7.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.752 0.31 . . . . 19.89 110.719 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.66 -0.26 26.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.386 -0.37 . . . . 20.57 111.373 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.339 -0.391 . . . . 22.18 110.009 -179.881 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.6 ttp . . . . . 0 C--O 1.23 0.04 0 CA-C-O 121.37 0.605 . . . . 10.83 109.972 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -144.04 132.21 10.92 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.215 -0.902 . . . . 8.7 109.918 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.686 ' HB3' HG12 ' B' ' 48' ' ' ILE . 62.4 Cg_exo -55.37 153.83 26.42 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.643 2.229 . . . . 4.88 111.748 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 53.8 t -74.16 139.66 18.93 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.61 0 CA-C-O 122.384 1.088 . . . . 3.44 111.924 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.63 HG21 ' OP1' ' C' ' 11' ' ' ' DT' . 0.1 OUTLIER -108.91 154.35 22.26 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 105.219 -2.141 . . . . 3.24 105.219 176.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.826 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -59.47 -23.1 62.44 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 118.68 -1.208 . . . . 2.75 110.419 -178.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -35.84 81.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.062 -0.972 . . . . 4.42 109.858 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.537 ' HB2' HG12 ' B' ' 4' ' ' VAL . 63.9 m-20 -65.81 -44.7 84.87 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.689 -1.141 . . . . 3.77 110.265 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.486 HG12 ' HE3' ' B' ' 42' ' ' MET . 73.6 t -67.43 -41.12 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.976 0.894 . . . . 2.69 108.934 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.44 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.13 -46.4 89.76 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.948 -1.478 . . . . 3.33 111.266 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -49.01 71.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.024 -0.732 . . . . 5.21 109.024 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.84 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 36.6 t80 -61.08 -30.88 70.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.395 -0.821 . . . . 3.88 111.504 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.424 ' HB1' HG23 ' B' ' 15' ' ' VAL . . . -81.93 -26.11 34.33 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.679 -0.859 . . . . 2.94 108.679 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.12 32.34 12.6 Favored Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 114.124 -1.398 . . . . 3.68 111.264 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.826 ' HB ' HG22 ' B' ' 19' ' ' THR . 10.0 m -140.1 152.93 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 CA-C-N 115.374 -0.413 . . . . 3.67 111.341 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.6 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.9 m -50.4 158.61 0.57 Allowed 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 122.729 1.252 . . . . 4.41 112.273 177.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.826 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 88.6 t80 -54.51 -61.03 2.57 Favored 'General case' 0 CA--C 1.563 1.468 0 CA-C-N 115.311 -0.859 . . . . 3.82 110.634 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.905 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 2.0 mp0 -69.9 13.1 0.16 Allowed 'General case' 0 C--O 1.17 -3.11 0 C-N-CA 125.395 1.478 . . . . 5.51 107.695 172.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.826 HG22 ' HB ' ' B' ' 15' ' ' VAL . 20.8 m -77.58 -62.85 1.53 Allowed 'General case' 0 N--CA 1.416 -2.164 1 C-N-CA 110.47 -4.492 . . . . 4.01 106.025 168.522 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.821 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -72.98 -29.22 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.212 0 CA-C-N 111.97 -2.377 . . . . 2.96 113.352 173.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.905 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 49.3 m -62.81 -34.79 78.03 Favored 'General case' 0 C--O 1.208 -1.119 0 C-N-CA 119.157 -1.017 . . . . 3.31 109.465 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -69.68 -30.17 67.78 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 107.522 -1.288 . . . . 5.7 107.522 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 1.038 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 98.5 t -66.08 -52.77 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-N 114.309 -1.314 . . . . 3.44 108.739 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -67.24 -20.15 26.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 114.992 -1.004 . . . . 3.12 112.002 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.581 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 8.4 m-80 -105.92 23.44 13.96 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.844 -0.535 . . . . 4.07 112.058 -177.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 91.0 mt-30 92.55 82.49 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.327 1.017 . . . . 6.22 108.987 177.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 1.038 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -81.26 72.98 8.32 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 113.942 -1.481 . . . . 4.48 112.314 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 61.4 m -85.13 9.2 15.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.454 . . . . 5.9 110.981 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.519 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 0.0 OUTLIER -154.23 74.88 0.99 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.082 -0.508 . . . . 6.89 110.404 179.682 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.402 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 23.4 m -151.04 175.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 123.186 0.595 . . . . 4.57 110.32 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -94.85 172.36 8.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.326 . . . . 4.12 110.986 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -71.59 -62.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 3.55 112.226 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.444 ' HA ' ' HD2' ' B' ' 33' ' ' LYS . 13.3 tptt -50.7 -45.98 58.62 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 116.251 -0.431 . . . . 5.39 111.856 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.655 ' O ' HG12 ' B' ' 38' ' ' VAL . 10.4 m -51.71 -45.58 63.61 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.138 -0.483 . . . . 3.3 111.182 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 27.4 mtm180 -62.58 -40.93 98.45 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.555 -0.535 . . . . 4.15 109.555 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 34.4 mt-10 -67.1 -33.93 76.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.43 -0.805 . . . . 2.94 110.489 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -70.92 -47.31 59.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.972 -0.558 . . . . 3.51 110.285 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.821 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.7 m -68.52 -45.08 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.816 -0.439 . . . . 2.65 109.816 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.429 ' N ' HG23 ' B' ' 38' ' ' VAL . 13.6 mt-10 -60.29 -41.22 92.93 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.645 -0.502 . . . . 3.0 109.645 178.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -64.81 -51.9 59.69 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.987 -0.746 . . . . 2.67 108.987 177.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.84 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.62 -51.66 53.88 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 112.755 0.65 . . . . 2.68 112.755 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.486 ' HE3' HG12 ' B' ' 9' ' ' VAL . 16.7 ptp -64.66 -32.25 73.83 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.015 -0.274 . . . . 2.74 110.36 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.2 -45.02 64.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.363 . . . . 3.43 111.252 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 19.4 mm-40 -67.32 -44.51 78.95 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.952 -0.567 . . . . 3.81 110.73 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.1 mt -80.87 0.24 35.99 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.567 -0.742 . . . . 3.86 110.621 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.477 ' C ' HD21 ' B' ' 46' ' ' ASN . 0.2 OUTLIER 73.78 -47.54 0.65 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.893 0.746 . . . . 4.39 110.22 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.777 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 1.8 t80 56.54 95.46 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.627 0.727 . . . . 3.22 111.312 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.717 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 2.5 pp -68.2 164.61 41.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.307 -0.86 . . . . 4.29 111.441 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.717 ' HD2' ' HB ' ' B' ' 48' ' ' ILE . 14.3 Cg_endo -57.05 119.78 7.27 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.13 2.553 . . . . 4.15 112.993 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 17.4 t-20 -85.52 81.49 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.569 -0.741 . . . . 5.63 109.489 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 14.7 mtm180 82.96 89.13 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.297 -1.32 . . . . 8.97 109.984 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.471 ' HB2' ' H ' ' B' ' 53' ' ' ALA . 0.5 OUTLIER -100.65 -123.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.576 -0.738 . . . . 6.12 111.649 -178.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.629 ' HA ' ' O ' ' A' ' 49' ' ' PRO . . . -161.76 -87.41 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.209 -0.45 . . . . 7.92 111.133 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -159.57 1.48 0.08 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.778 0.323 . . . . 11.04 111.359 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.9 -57.07 2.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.945 -0.391 . . . . 12.93 109.945 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mp 65.39 105.6 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 124.115 0.884 . . . . 12.29 112.194 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.5 98.36 8.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.878 -0.601 . . . . 12.46 110.293 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.31 83.47 1.61 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.881 -0.675 . . . . 14.22 112.961 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 63.88 7.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.013 0.435 . . . . 16.96 110.323 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -69.44 -16.11 63.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.798 -0.637 . . . . 18.68 111.265 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.75 96.77 2.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.143 -0.48 . . . . 19.62 110.79 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.152 -0.927 . . . . 21.41 110.008 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.479 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.59 0 O4'-C1'-C2' 107.015 0.832 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-N19 109.391 1.989 . . . . 6.38 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.05 0 O4'-C1'-N19 109.301 1.876 . . . . 6.08 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O3'-P-O5' 100.568 -1.807 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-N19 108.846 1.308 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C1'-N19 109.526 2.158 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-N19 109.326 1.907 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.042 0 O4'-C1'-N19 109.348 1.935 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.433 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O3'-P-O5' 100.907 -1.628 . . . . 6.24 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.433 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-N19 108.974 1.468 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.63 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 O3'--C3' 1.421 -0.768 0 O4'-C1'-N19 109.652 2.315 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O3'-P-O5' 99.474 -2.382 . . . . 4.84 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.447 ' C6 ' ' H73' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.036 0 O3'-P-O5' 100.042 -2.083 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.447 ' H73' ' C6 ' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O3'-P-O5' 100.441 -1.873 . . . . 7.65 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C1'-N19 109.307 1.884 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O3'-P-O5' 100.52 -1.832 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O3'-P-O5' 101.448 -1.343 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 N19-C1'-C2' 116.083 1.177 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . 0.433 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.585 0 O4'-C1'-N19 108.569 0.961 . . . . 7.58 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.519 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C1'-N19 109.433 2.041 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.464 H2'' ' C7 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O4'-C1'-N19 110.108 2.885 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.464 ' C7 ' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.522 -0.6 0 O3'-P-O5' 99.395 -2.424 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-N19 108.832 1.29 . . . . 7.47 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C1'-N19 109.481 2.101 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 109.48 2.101 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C1'-N19 109.284 1.855 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O3'-P-O5' 100.497 -1.844 . . . . 6.48 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.022 1.528 . . . . 5.24 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 109.848 2.56 . . . . 4.6 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-N19 109.394 1.993 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . 0.547 " H5'" ' H ' ' A' ' 58' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O3'-P-O5' 100.212 -1.994 . . . . 5.65 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O3'-P-O5' 100.597 -1.791 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.098 0 O4'-C1'-N19 109.168 1.71 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 109.259 1.823 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O3'-P-O5' 101.618 -1.253 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 N19-C1'-C2' 115.485 0.803 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 tpt . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 120.521 0.201 . . . . 8.46 111.215 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 98.0 mttt -75.39 124.11 88.93 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.704 0.288 . . . . 7.55 111.281 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 94.8 Cg_endo -94.81 -102.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.463 2.775 . . . . 4.58 114.213 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 8' ' ' ASP . 47.1 t -136.24 151.39 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 121.612 0.72 . . . . 3.82 111.656 -177.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.497 ' N ' HG12 ' A' ' 4' ' ' VAL . 44.2 p -121.06 162.0 20.74 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 106.276 -1.75 . . . . 3.76 106.276 175.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.793 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.9 mt -59.2 -24.08 62.81 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 119.648 -0.821 . . . . 2.85 111.154 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -65.0 -36.9 85.9 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.864 0.84 . . . . 4.61 110.292 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.501 ' HB2' HG11 ' A' ' 4' ' ' VAL . 26.9 m-20 -65.7 -44.93 84.65 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 114.18 -1.373 . . . . 4.13 109.853 -178.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.529 HG11 ' HE2' ' A' ' 42' ' ' MET . 92.7 t -68.78 -42.09 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.534 -0.757 . . . . 2.91 109.39 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.51 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -57.54 -47.46 81.96 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.566 -1.197 . . . . 3.39 111.592 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -68.91 -48.6 62.9 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.586 -0.524 . . . . 5.24 109.586 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.818 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 54.3 t80 -60.07 -27.21 66.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.473 -0.785 . . . . 4.13 111.509 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.408 ' HB3' HG21 ' A' ' 15' ' ' VAL . . . -85.94 -28.0 24.56 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.698 0.761 . . . . 2.89 109.724 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.44 34.21 8.77 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 114.831 -1.077 . . . . 3.45 111.163 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.854 HG11 HG23 ' A' ' 34' ' ' THR . 3.3 m -138.17 147.76 25.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.42 -0.89 . . . . 3.39 110.389 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -55.43 147.27 17.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.288 0.566 . . . . 4.52 110.595 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 60.7 t80 -50.47 -51.95 42.56 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.832 -1.076 . . . . 3.95 112.299 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' NE2' ' N7 ' ' C' ' 5' ' ' ' DA' . 0.0 OUTLIER -59.67 -29.06 67.8 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.985 -1.007 . . . . 5.71 111.758 -179.566 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.612 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.2 m -64.54 -61.32 2.28 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.557 -0.292 . . . . 3.86 110.683 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.556 HG11 HG23 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -68.69 -30.19 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.36 -0.382 . . . . 3.01 111.728 -178.778 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.2 t -57.96 -47.11 83.88 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.264 -0.643 . . . . 3.29 109.264 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -70.08 -27.93 65.01 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.295 -0.866 . . . . 4.68 109.642 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.038 HG12 HG22 ' A' ' 38' ' ' VAL . 40.6 t -64.7 -47.88 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.396 -0.82 . . . . 3.04 109.236 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.435 ' CG2' ' HE3' ' A' ' 42' ' ' MET . 77.6 t -64.34 -21.46 29.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.66 -0.7 . . . . 2.72 110.915 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.509 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 3.3 m-80 -85.23 -10.72 56.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 3.68 111.825 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HB3' ' O ' ' A' ' 25' ' ' ASN . 3.4 pt20 121.92 -21.0 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 126.097 1.759 . . . . 6.64 110.228 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . 62.03 -145.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.655 -0.702 . . . . 4.63 110.79 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -157.98 -46.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.693 0.759 . . . . 5.4 108.993 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.643 ' HB3' ' OP2' ' C' ' 2' ' ' ' DG' . 10.3 m-70 -132.05 -109.25 0.25 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.002 -0.999 . . . . 6.16 108.857 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.574 HG12 ' OP2' ' C' ' 3' ' ' ' DA' . 57.0 t 71.7 154.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 121.159 0.504 . . . . 4.47 111.122 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.84 161.69 14.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.969 0.414 . . . . 3.8 110.773 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -56.71 -49.99 73.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.598 -0.728 . . . . 3.6 112.59 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.595 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 1.4 pttm -51.16 -41.53 60.22 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.177 0.806 . . . . 4.97 113.177 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.854 HG23 HG11 ' A' ' 15' ' ' VAL . 17.9 m -71.74 -40.82 69.13 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.026 -0.67 . . . . 3.04 111.206 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.44 ' O ' HG21 ' A' ' 38' ' ' VAL . 10.9 mtp180 -66.95 -40.27 87.47 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.794 -0.362 . . . . 4.53 110.781 -178.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 5.3 pt-20 -68.2 -31.77 71.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.201 -0.454 . . . . 3.55 109.859 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.595 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 4.2 mtpp -72.85 -44.35 61.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.038 -0.528 . . . . 3.16 110.555 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.038 HG22 HG12 ' A' ' 23' ' ' VAL . 3.0 m -65.2 -44.53 95.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 108.651 -0.87 . . . . 2.68 108.651 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 38' ' ' VAL . 13.6 mt-10 -59.61 -45.22 92.59 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.369 -0.832 . . . . 3.27 109.42 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.645 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.83 -55.05 37.68 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.175 -0.676 . . . . 2.9 109.175 178.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.818 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.16 -52.19 46.45 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 113.371 0.878 . . . . 2.89 113.371 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.542 ' HE2' ' HB3' ' A' ' 42' ' ' MET . 15.9 ptp -65.48 -32.18 73.65 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.724 -0.39 . . . . 2.88 110.302 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.93 -43.3 68.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.917 0.389 . . . . 3.6 111.097 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.645 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 10.9 mm-40 -68.53 -44.56 74.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.875 -0.602 . . . . 4.09 110.605 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.1 mt -80.77 0.66 33.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.476 -0.784 . . . . 4.07 110.908 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.449 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 3.4 t-20 73.88 -52.74 0.69 Allowed 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.791 0.682 . . . . 4.18 110.096 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.793 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.3 t80 56.07 92.99 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.834 0.826 . . . . 3.27 112.721 178.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.07 128.3 24.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.056 -0.975 . . . . 3.99 109.191 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -82.01 159.94 18.25 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.957 2.438 . . . . 4.1 113.502 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -163.53 -91.44 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.105 -0.498 . . . . 5.58 110.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.447 HH11 " H5'" ' C' ' 12' ' ' ' DC' . 1.9 ttt-85 58.95 63.88 1.54 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.241 0.616 . . . . 9.64 112.59 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.9 p -122.32 -122.92 0.27 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.071 -0.344 . . . . 5.87 110.071 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -166.2 -175.8 3.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.541 0.21 . . . . 8.15 110.894 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -113.97 -168.14 1.31 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.692 0.282 . . . . 10.55 110.678 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.24 43.05 0.51 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.43 -0.35 . . . . 13.52 111.672 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' B' ' 28' ' ' SER . 15.2 mt 53.91 -116.25 1.04 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.724 -0.671 . . . . 12.14 111.731 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.14 178.58 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.556 -0.293 . . . . 14.26 110.623 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.39 -147.0 19.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.88 -0.676 . . . . 16.04 111.768 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.98 28.98 12.47 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 122.702 0.401 . . . . 17.98 111.262 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.433 ' HB3' ' H ' ' A' ' 61' ' ' SER . 0.0 OUTLIER 64.6 -87.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.662 -0.699 . . . . 19.89 111.338 179.69 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.433 ' H ' ' HB3' ' A' ' 60' ' ' GLN . 7.8 m -89.5 80.05 6.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.092 0.472 . . . . 20.57 110.901 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.6 tp . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.498 . . . . 22.18 110.556 179.51 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.3 mmm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.719 0.295 . . . . 10.83 110.767 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -87.35 117.66 68.87 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.354 -0.385 . . . . 8.7 110.015 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.35 150.73 81.12 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.974 2.449 . . . . 4.88 113.208 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.538 HG13 ' CB ' ' B' ' 8' ' ' ASP . 96.8 t -64.1 141.55 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.331 -0.85 . . . . 3.44 111.584 179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.457 ' O ' HG11 ' B' ' 4' ' ' VAL . 24.3 p -102.51 156.98 17.25 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 105.844 -1.91 . . . . 3.24 105.844 175.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 1.043 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.0 OUTLIER -61.25 -20.23 62.59 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 118.588 -1.245 . . . . 2.75 109.487 178.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.601 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.1 -38.85 92.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.696 -1.138 . . . . 4.42 110.014 176.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.538 ' CB ' HG13 ' B' ' 4' ' ' VAL . 24.9 m-20 -63.66 -43.2 97.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.998 -1.455 . . . . 3.77 109.584 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.543 HG11 ' HE1' ' B' ' 42' ' ' MET . 82.8 t -68.43 -40.53 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 N-CA-C 108.753 -0.832 . . . . 2.69 108.753 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -59.77 -47.37 85.98 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.155 -1.384 . . . . 3.33 111.179 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -64.19 -50.37 68.35 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.338 -0.847 . . . . 5.21 109.552 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.858 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 41.7 t80 -60.14 -28.42 67.88 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.678 -1.146 . . . . 3.88 111.359 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.434 ' HB3' HG23 ' B' ' 15' ' ' VAL . . . -85.42 -25.99 26.65 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.84 0.828 . . . . 2.94 109.239 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.3 33.99 10.01 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 114.29 -1.323 . . . . 3.68 111.135 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.705 HG22 HG12 ' B' ' 20' ' ' VAL . 11.5 m -142.24 151.29 18.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.126 -0.537 . . . . 3.67 112.405 -176.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.5 m -50.36 163.3 0.17 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.963 0.887 . . . . 4.41 110.152 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.781 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 56.8 t80 -56.68 -57.12 13.78 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 114.676 -1.147 . . . . 3.82 110.937 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.617 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 1.2 tp60 -77.6 16.57 0.64 Allowed 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 125.081 1.488 . . . . 5.51 113.916 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.63 ' O ' HG22 ' B' ' 23' ' ' VAL . 63.4 m -82.02 -58.25 3.05 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 102.565 -3.124 . . . . 4.01 102.565 171.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.842 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -77.36 -39.87 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-N 110.1 -3.227 . . . . 2.96 112.052 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.617 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 46.6 m -61.57 -31.91 71.97 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.015 -1.053 . . . . 3.31 110.046 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.87 -30.25 66.59 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.13 -1.063 . . . . 5.7 108.13 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 1.031 ' HA ' ' HB1' ' B' ' 27' ' ' ALA . 87.7 t -66.05 -51.06 64.58 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 114.836 -1.075 . . . . 3.44 108.339 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.431 ' CG2' ' HE2' ' B' ' 42' ' ' MET . 91.8 t -66.87 -19.77 26.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 114.669 -1.15 . . . . 3.12 111.727 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.647 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 16.3 m-80 -108.41 22.56 15.77 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.597 -0.441 . . . . 4.07 111.483 -177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.647 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 0.2 OUTLIER 90.07 84.96 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 122.452 1.12 . . . . 6.22 109.963 178.551 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 1.031 ' HB1' ' HA ' ' B' ' 23' ' ' VAL . . . -81.92 77.06 8.79 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 113.649 -1.614 . . . . 4.48 112.468 -177.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.5 ' HB2' HD11 ' A' ' 56' ' ' LEU . 5.0 m -86.85 2.93 47.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.483 . . . . 5.9 110.34 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.622 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 52.2 m-70 -142.48 79.36 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.535 . . . . 6.89 109.734 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.495 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 4.5 m -160.35 179.8 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 122.649 0.38 . . . . 4.57 110.611 -178.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.491 ' O ' ' HD3' ' B' ' 35' ' ' ARG . 1.5 p -101.55 168.75 9.29 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.95 -0.568 . . . . 4.12 109.524 176.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.457 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -70.72 -54.65 10.98 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.15 0.426 . . . . 3.55 112.15 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -49.79 -49.83 47.12 Favored 'General case' 0 CA--C 1.508 -0.649 0 O-C-N 123.433 0.458 . . . . 5.39 112.109 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.721 ' O ' HG11 ' B' ' 38' ' ' VAL . 26.6 m -49.72 -47.9 50.31 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.485 -0.78 . . . . 3.3 111.466 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 8.4 mtp180 -61.02 -38.43 86.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.632 0.253 . . . . 4.15 110.572 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 19.9 mt-10 -66.43 -39.02 88.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.32 0.581 . . . . 2.94 110.384 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -70.93 -44.91 65.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.379 -0.828 . . . . 3.51 111.243 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.842 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -68.2 -43.88 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.398 -0.365 . . . . 2.65 110.081 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.527 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -60.03 -41.15 91.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.909 -0.775 . . . . 3.0 108.909 177.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.614 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.43 -53.52 53.7 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.918 -0.771 . . . . 2.67 108.918 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.858 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.46 -51.86 51.35 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 113.494 0.924 . . . . 2.68 113.494 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.543 ' HE1' HG11 ' B' ' 9' ' ' VAL . 17.3 ptp -65.22 -32.28 73.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.74 0.305 . . . . 2.74 110.645 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.95 -42.43 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 3.43 111.218 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.1 mm-40 -68.97 -44.46 72.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.286 0.565 . . . . 3.81 110.558 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.9 mt -80.7 1.96 27.99 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.319 -0.855 . . . . 3.86 111.173 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.493 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 4.0 t30 74.92 -52.47 0.67 Allowed 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.629 0.581 . . . . 4.39 110.072 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 1.043 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 14.3 t80 41.33 93.24 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.392 1.077 . . . . 3.22 113.838 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.15 113.93 13.19 Favored Pre-proline 0 N--CA 1.445 -0.693 0 CA-C-O 121.42 0.628 . . . . 4.29 110.098 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.496 ' HB2' ' HB1' ' B' ' 53' ' ' ALA . 91.0 Cg_endo -81.51 56.03 5.8 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.76 2.307 . . . . 4.15 113.353 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -79.52 61.51 3.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.082 0.467 . . . . 5.63 110.824 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.508 HH12 H5'' ' C' ' 11' ' ' ' DT' . 51.7 mtt-85 -144.42 -74.56 0.25 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.311 -0.625 . . . . 8.97 109.311 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.6 m -155.55 -36.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.246 -0.888 . . . . 6.12 109.229 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.496 ' HB1' ' HB2' ' B' ' 49' ' ' PRO . . . 68.57 -178.45 0.22 Allowed 'General case' 0 N--CA 1.458 -0.061 0 CA-C-N 115.381 -0.827 . . . . 7.92 112.564 177.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.412 HE21 ' HB2' ' B' ' 54' ' ' GLN . 7.7 mt-30 -99.04 -70.33 0.73 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.322 -0.854 . . . . 11.04 111.124 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.411 ' OE1' ' HB2' ' B' ' 54' ' ' GLN . 0.9 OUTLIER -64.66 -21.29 66.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.626 -1.17 . . . . 12.93 112.041 -178.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mp -72.12 -30.37 64.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.329 . . . . 12.29 110.476 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.42 -23.71 29.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.135 -0.484 . . . . 12.46 110.173 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.71 19.34 68.36 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.654 -0.703 . . . . 14.22 112.244 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -113.28 -64.63 1.28 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.654 0.264 . . . . 16.96 110.718 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.455 ' HB2' ' HG3' ' B' ' 26' ' ' GLN . 62.4 tp60 -79.32 111.73 15.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.907 0.384 . . . . 18.68 110.527 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 63.6 m -156.67 41.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.198 -0.455 . . . . 19.62 110.359 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 44.3 mt . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.622 -0.704 . . . . 21.41 110.106 -179.766 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.448 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O4'-C1'-N19 108.597 0.997 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.643 ' OP2' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.422 -1.107 0 O4'-C1'-N19 109.367 1.959 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.574 ' OP2' HG12 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.005 0 O4'-C1'-N19 109.339 1.924 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 O3'-P-O5' 100.028 -2.091 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . 0.415 ' N7 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-N19 108.906 1.382 . . . . 7.27 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-N19 109.558 2.198 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C1'-N19 109.646 2.307 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.062 0 O4'-C1'-N19 109.3 1.875 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.43 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O3'-P-O5' 100.681 -1.747 . . . . 6.24 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.5 ' C8 ' ' H71' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-N19 108.726 1.157 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.508 H5'' HH12 ' B' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.454 0.769 0 O4'-C1'-N19 109.939 2.674 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.447 " H5'" HH11 ' A' ' 51' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.991 0 O4'-C1'-N19 109.763 2.454 . . . . 4.84 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.513 ' H72' ' HG2' ' B' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O3'-P-O5' 100.095 -2.055 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.177 0 O4'-C1'-N19 109.245 1.807 . . . . 7.65 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C1'-N19 109.215 1.769 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O3'-P-O5' 100.524 -1.83 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O3'-P-O5' 101.577 -1.275 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-C2' 107.059 0.872 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 O4'-C1'-N19 108.703 1.129 . . . . 7.58 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.622 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 O4'-C1'-N19 109.209 1.761 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.498 H2'' ' OP2' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C1'-N19 110.069 2.836 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.498 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.523 -0.453 0 O3'-P-O5' 99.925 -2.145 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-N19 108.884 1.355 . . . . 7.47 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-N19 109.624 2.28 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O4'-C1'-N19 109.478 2.097 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-N19 109.326 1.908 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.031 0 O3'-P-O5' 100.636 -1.771 . . . . 6.48 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O3'-P-O5' 101.184 -1.482 . . . . 5.24 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . 0.463 " H2'" ' HH ' ' A' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 109.875 2.594 . . . . 4.6 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-N19 109.446 2.058 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O3'-P-O5' 99.84 -2.189 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.076 0 O4'-C1'-N19 109.22 1.775 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 109.242 1.803 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-N19 109.134 1.668 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O3'-P-O5' 101.549 -1.29 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 107.075 0.887 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.742 0.306 . . . . 8.46 110.551 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.463 ' HG3' ' HD2' ' A' ' 3' ' ' PRO . 20.8 tptt -108.53 138.62 20.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.482 -0.562 . . . . 7.55 109.482 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.463 ' HD2' ' HG3' ' A' ' 2' ' ' LYS . 26.9 Cg_endo -63.01 -89.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.831 2.354 . . . . 4.58 113.658 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.506 HG11 ' HB2' ' A' ' 8' ' ' ASP . 24.0 t -144.44 146.61 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 CA-C-O 121.942 0.877 . . . . 3.82 111.945 -178.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.495 ' N ' HG12 ' A' ' 4' ' ' VAL . 76.5 p -123.23 165.42 16.95 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 105.989 -1.856 . . . . 3.76 105.989 175.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.839 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 1.9 mt -59.96 -23.84 63.92 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.699 -0.8 . . . . 2.85 111.162 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -65.23 -38.04 89.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.605 -0.725 . . . . 4.61 110.316 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.506 ' HB2' HG11 ' A' ' 4' ' ' VAL . 27.8 m-20 -65.69 -44.77 85.18 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 114.502 -1.226 . . . . 4.13 110.007 -178.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.507 HG13 ' HE1' ' A' ' 42' ' ' MET . 94.3 t -68.42 -40.72 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 0 N-CA-C 108.988 -0.745 . . . . 2.91 108.988 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.35 -47.02 85.14 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.639 -1.164 . . . . 3.39 111.35 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -69.26 -49.48 55.76 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.612 -0.514 . . . . 5.24 109.612 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.854 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.5 t80 -60.07 -27.3 66.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.496 -0.775 . . . . 4.13 111.547 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -85.79 -28.24 24.65 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.528 0.68 . . . . 2.89 109.643 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 36.06 8.39 Favored Glycine 0 N--CA 1.439 -1.112 0 CA-C-N 114.915 -1.038 . . . . 3.45 111.049 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.733 HG11 HG22 ' A' ' 34' ' ' THR . 5.6 m -139.29 147.39 24.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 114.401 -0.9 . . . . 3.39 110.361 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 m -55.86 148.98 15.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.494 0.664 . . . . 4.52 110.211 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.631 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.8 t80 -52.62 -51.91 57.85 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.972 -1.013 . . . . 3.95 112.318 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.573 ' HG2' ' H62' ' C' ' 6' ' ' ' DA' . 19.9 mp0 -61.79 -23.12 66.0 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.189 -0.914 . . . . 5.71 111.248 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.584 ' O ' HG22 ' A' ' 23' ' ' VAL . 5.1 m -67.75 -60.87 2.19 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.317 -0.401 . . . . 3.86 109.946 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.582 ' HB ' ' CG1' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -68.4 -29.09 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.266 -0.424 . . . . 3.01 111.378 -179.391 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 t -56.09 -44.41 78.99 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.532 -0.544 . . . . 3.29 109.532 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -30.31 66.97 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.349 -0.611 . . . . 4.68 109.349 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.994 ' HA ' ' HB1' ' A' ' 27' ' ' ALA . 71.6 t -65.56 -47.16 87.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.305 -0.861 . . . . 3.04 110.615 -177.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.52 -20.86 27.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.009 -0.996 . . . . 2.72 112.531 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.97 -14.1 7.2 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.776 1.769 . . . . 3.68 115.776 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 175.23 73.36 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.468 0.576 . . . . 6.64 110.964 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.994 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -88.95 63.85 6.92 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.082 0.468 . . . . 4.63 111.549 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -14.19 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.41 0.624 . . . . 5.4 110.614 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -134.15 86.47 2.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.808 -0.633 . . . . 6.16 109.594 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.401 HG11 ' HB2' ' A' ' 27' ' ' ALA . 9.2 p -164.98 163.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.032 -0.531 . . . . 4.47 109.967 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 p -90.59 172.96 8.32 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.976 -0.556 . . . . 3.8 110.953 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.02 -54.88 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.773 -0.649 . . . . 3.6 111.153 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.607 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 28.1 tptt -51.71 -49.07 63.21 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 112.268 0.47 . . . . 4.97 112.268 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.763 ' O ' HG12 ' A' ' 38' ' ' VAL . 64.8 m -58.96 -42.48 90.0 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 111.718 0.266 . . . . 3.04 111.718 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.498 ' O ' HG21 ' A' ' 38' ' ' VAL . 6.2 ttm180 -65.24 -45.73 83.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.795 0.331 . . . . 4.53 111.054 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -68.46 -28.82 67.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.082 -0.508 . . . . 3.55 110.124 -179.777 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.586 ' HD3' ' HG3' ' A' ' 33' ' ' LYS . 2.3 mtpp -69.93 -46.32 65.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.07 -0.514 . . . . 3.16 109.815 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.969 HG22 HG12 ' A' ' 23' ' ' VAL . 2.4 m -65.71 -43.99 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.986 -0.746 . . . . 2.68 108.986 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.7 mt-10 -59.96 -43.67 94.9 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.17 -0.923 . . . . 3.27 109.968 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.598 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -63.08 -52.52 62.35 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.153 -0.684 . . . . 2.9 109.153 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.854 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -52.81 -51.92 58.93 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.27 0.841 . . . . 2.89 113.27 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.511 ' HE1' ' HB3' ' A' ' 42' ' ' MET . 15.5 ptp -64.6 -31.61 72.91 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.028 -0.269 . . . . 2.88 110.395 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.71 -43.75 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 3.6 111.088 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 37.2 mm-40 -68.9 -44.86 72.31 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.829 -0.623 . . . . 4.09 111.223 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.8 mt -80.59 -0.15 36.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.513 -0.767 . . . . 4.07 110.474 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.8 t30 72.59 -45.62 0.63 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.701 0.8 . . . . 4.18 110.331 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.839 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.2 t80 54.87 85.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.796 0.839 . . . . 3.27 112.604 177.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 48' ' ' ILE . 3.2 tp -104.98 134.45 19.63 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.162 -0.926 . . . . 3.99 109.211 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HD2' HG13 ' A' ' 48' ' ' ILE . 56.0 Cg_endo -71.17 69.94 2.41 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.801 2.334 . . . . 4.1 113.719 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -91.41 66.72 5.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.373 0.606 . . . . 5.58 109.942 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -112.5 12.65 20.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.94 -0.573 . . . . 9.64 110.164 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 70.2 m -131.76 99.8 4.89 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 115.566 -0.743 . . . . 5.87 109.906 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' HB1' ' H ' ' A' ' 54' ' ' GLN . . . 67.84 -127.76 0.15 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.179 -1.373 . . . . 8.15 111.842 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.404 ' H ' ' HB1' ' A' ' 53' ' ' ALA . 3.3 mm100 -153.71 -73.05 0.13 Allowed 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 120.927 0.394 . . . . 10.55 110.284 -178.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -84.48 63.51 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.546 . . . . 13.52 111.129 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.12 97.3 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.782 -0.645 . . . . 12.14 110.597 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.62 89.1 1.53 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.953 -0.567 . . . . 14.26 110.688 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -142.91 35.12 1.73 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.414 -0.675 . . . . 16.04 111.414 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -71.55 -42.21 68.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.857 0.36 . . . . 17.98 110.849 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -76.96 -8.32 57.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.096 -0.502 . . . . 19.89 111.269 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t 71.3 -48.86 0.68 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.512 0.725 . . . . 20.57 112.274 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 120.778 0.323 . . . . 22.18 111.028 -179.839 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.983 0.421 . . . . 10.83 110.582 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -104.44 110.87 64.91 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.858 -0.61 . . . . 8.7 110.993 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.24 -178.61 4.61 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.695 2.263 . . . . 4.88 110.276 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.738 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 75.9 t -77.21 138.46 20.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 122.089 0.947 . . . . 3.44 110.784 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.43 ' O ' HG11 ' B' ' 4' ' ' VAL . 34.5 p -103.96 158.32 16.49 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 105.814 -1.921 . . . . 3.24 105.814 176.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.757 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.5 mt -60.91 -22.14 64.06 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 118.861 -1.136 . . . . 2.75 109.403 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -62.8 -39.8 95.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.738 -1.119 . . . . 4.42 109.279 177.583 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.491 ' HB2' HG13 ' B' ' 4' ' ' VAL . 19.3 m-20 -64.25 -44.33 92.14 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 114.379 -1.282 . . . . 3.77 109.137 -178.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.511 HG11 ' HE3' ' B' ' 42' ' ' MET . 75.3 t -67.99 -43.34 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.061 -0.972 . . . . 2.69 108.932 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.454 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.75 -46.35 84.61 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.295 -1.321 . . . . 3.33 111.541 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -49.87 70.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.365 0.602 . . . . 5.21 109.407 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.803 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.0 t80 -61.16 -29.54 69.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.812 -1.086 . . . . 3.88 111.444 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.459 ' HB3' HG21 ' B' ' 15' ' ' VAL . . . -82.85 -26.97 31.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.149 -0.686 . . . . 2.94 109.149 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.22 31.74 16.04 Favored Glycine 0 CA--C 1.498 -0.979 0 CA-C-N 114.75 -1.114 . . . . 3.68 111.099 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.709 HG23 HG13 ' B' ' 20' ' ' VAL . 6.0 m -141.49 148.46 21.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.306 -0.947 . . . . 3.67 111.007 -177.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.567 ' HB2' ' OG1' ' B' ' 19' ' ' THR . 4.8 m -47.89 155.06 0.46 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.141 0.496 . . . . 4.41 111.066 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.692 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.7 t80 -52.87 -60.97 2.61 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.862 -1.063 . . . . 3.82 110.136 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.964 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -71.3 3.52 3.6 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 123.8 0.687 . . . . 5.51 111.232 177.76 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.683 ' O ' HG22 ' B' ' 23' ' ' VAL . 52.5 m -71.13 -56.11 6.78 Favored 'General case' 0 N--CA 1.423 -1.779 0 N-CA-C 103.41 -2.811 . . . . 4.01 103.41 174.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.773 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -80.21 -32.9 13.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 112.163 -2.289 . . . . 2.96 112.858 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.964 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 41.3 t -62.92 -35.78 81.2 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 120.937 0.399 . . . . 3.31 110.183 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.5 OUTLIER -67.72 -30.52 70.03 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 106.815 -1.55 . . . . 5.7 106.815 178.023 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 1.059 ' HA ' ' HB3' ' B' ' 27' ' ' ALA . 98.6 t -66.19 -51.65 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 114.188 -1.369 . . . . 3.44 109.332 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.457 ' CG2' ' HE1' ' B' ' 42' ' ' MET . 2.8 t -66.5 -20.5 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 114.541 -1.209 . . . . 3.12 112.312 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.563 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 2.4 m-80 -93.85 -10.54 33.66 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.753 -0.779 . . . . 4.07 112.46 -177.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.563 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 3.8 pt20 161.28 -41.48 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.896 0.748 . . . . 6.22 111.398 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 1.059 ' HB3' ' HA ' ' B' ' 23' ' ' VAL . . . 49.78 58.59 5.28 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.413 0.685 . . . . 4.48 111.402 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -15.13 59.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.851 -0.613 . . . . 5.9 111.256 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.475 ' HB3' ' OP2' ' D' ' 2' ' ' ' DG' . 69.6 m-70 -128.65 -130.61 0.22 Allowed 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 108.505 -0.924 . . . . 6.89 108.505 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.558 HG12 ' N ' ' B' ' 31' ' ' SER . 38.6 t 71.2 157.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 112.406 0.521 . . . . 4.57 112.406 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.558 ' N ' HG12 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -93.5 -175.26 3.73 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.079 -0.51 . . . . 4.12 111.217 179.276 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.14 -67.52 0.51 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.665 0.987 . . . . 3.55 113.665 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -45.58 -45.32 13.59 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.78 1.03 . . . . 5.39 113.78 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.76 ' O ' HG12 ' B' ' 38' ' ' VAL . 8.4 m -59.57 -47.57 85.05 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 112.147 0.425 . . . . 3.3 112.147 -178.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.467 ' O ' HG23 ' B' ' 38' ' ' VAL . 6.4 ttm-85 -58.51 -49.08 78.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.853 0.359 . . . . 4.15 111.195 -177.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -67.8 -29.56 68.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.041 -0.527 . . . . 2.94 110.865 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -72.22 -43.14 64.87 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.252 -0.277 . . . . 3.51 110.252 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.773 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.6 m -68.67 -43.5 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.022 -0.733 . . . . 2.65 109.022 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.428 ' N ' HG22 ' B' ' 38' ' ' VAL . 7.4 mt-10 -59.76 -41.09 90.27 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.448 -0.797 . . . . 3.0 109.027 177.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.635 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.78 -53.28 56.74 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.053 -0.721 . . . . 2.67 109.053 177.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.803 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.28 -51.26 55.79 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 113.048 0.758 . . . . 2.68 113.048 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.511 ' HE3' HG11 ' B' ' 9' ' ' VAL . 15.8 ptp -64.82 -32.32 73.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.246 -0.279 . . . . 2.74 110.246 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.34 -43.66 66.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.416 -0.356 . . . . 3.43 111.316 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 3.9 mm-40 -69.26 -45.66 69.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.905 -0.589 . . . . 3.81 111.173 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.5 mt -80.94 -0.91 41.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.749 -0.659 . . . . 3.86 110.892 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 1.074 HD22 HG12 ' B' ' 48' ' ' ILE . 0.0 OUTLIER 74.12 -42.46 0.51 Allowed 'General case' 0 N--CA 1.475 0.794 0 O-C-N 123.949 0.781 . . . . 4.39 110.09 -178.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.757 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 0.9 OUTLIER 68.52 -71.0 0.12 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.213 1.005 . . . . 3.22 111.488 178.114 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 1.074 HG12 HD22 ' B' ' 46' ' ' ASN . 0.3 OUTLIER 70.61 138.38 0.06 OUTLIER Pre-proline 0 CA--C 1.551 1.017 0 O-C-N 123.485 0.491 . . . . 4.29 110.104 -178.264 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.668 ' HD2' HD13 ' B' ' 48' ' ' ILE . 2.6 Cg_endo -41.29 -38.86 3.75 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 124.06 3.174 . . . . 4.15 113.853 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 69.64 -66.4 0.27 Allowed 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.658 0.783 . . . . 5.63 111.769 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.01 10.23 0.39 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.686 0.625 . . . . 8.97 112.686 -178.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -163.55 117.39 1.55 Allowed 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.872 0.844 . . . . 6.12 110.75 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.558 ' HB2' ' HB3' ' B' ' 49' ' ' PRO . . . -145.94 -147.83 0.23 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.188 -1.369 . . . . 7.92 110.1 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.451 ' H ' ' HB3' ' B' ' 53' ' ' ALA . 72.0 mt-30 72.7 -18.66 0.34 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.226 0.825 . . . . 11.04 113.226 178.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -124.51 20.7 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.846 0.355 . . . . 12.93 111.017 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.24 -40.8 81.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.921 -0.581 . . . . 12.29 110.721 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . 52.22 51.22 16.76 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.998 -0.546 . . . . 12.46 111.083 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.82 133.67 40.22 Favored Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.56 -0.745 . . . . 14.22 113.301 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -157.68 -170.15 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.242 -0.651 . . . . 16.96 109.242 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 64.71 -82.22 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.987 0.804 . . . . 18.68 111.662 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 15.4 m -82.82 54.5 2.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.464 -0.335 . . . . 19.62 111.685 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.603 -0.713 . . . . 21.41 110.466 179.665 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.544 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 O4'-C1'-N19 108.54 0.925 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.418 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C1'-N19 108.976 1.47 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O4'-C1'-N19 109.181 1.727 . . . . 6.08 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O3'-P-O5' 100.125 -2.04 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.055 0 O3'-P-O5' 100.823 -1.672 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . 0.573 ' H62' ' HG2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O3'-P-O5' 100.64 -1.769 . . . . 7.87 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O3'-P-O5' 100.096 -2.055 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.111 0 O4'-C1'-N19 109.29 1.863 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O3'-P-O5' 100.074 -2.066 . . . . 6.24 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.4 ' C8 ' ' H71' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.031 0 O3'-P-O5' 100.388 -1.901 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.519 " H3'" ' OH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 O3'--C3' 1.418 -0.964 0 C5'-C4'-C3' 111.128 -2.382 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.416 -1.15 0 O3'-P-O5' 99.025 -2.618 . . . . 4.84 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O3'-P-O5' 99.966 -2.123 . . . . 6.08 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O3'-P-O5' 99.921 -2.147 . . . . 7.65 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.031 0 O3'-P-O5' 100.42 -1.884 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O3'-P-O5' 100.639 -1.769 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 108.905 1.381 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 N19-C1'-C2' 115.844 1.027 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . 0.471 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.565 0 O4'-C1'-C2' 107.049 0.863 . . . . 7.58 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.475 ' OP2' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.422 -1.107 0 O4'-C1'-N19 109.474 2.093 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.456 ' OP2' H2'' ' D' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 P-O5'-C5' 118.251 -1.656 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O3'-P-O5' 99.785 -2.219 . . . . 6.22 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . 0.502 ' H62' ' NE2' ' B' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 O3'-P-O5' 100.958 -1.601 . . . . 7.47 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O3'-P-O5' 100.161 -2.02 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O3'-P-O5' 99.998 -2.106 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.051 0 O3'-P-O5' 100.32 -1.937 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O3'-P-O5' 99.577 -2.328 . . . . 6.48 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.08 0 O3'-P-O5' 100.009 -2.101 . . . . 5.24 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.418 -1.022 0 O3'-P-O5' 99.802 -2.209 . . . . 4.6 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.12 0 O3'-P-O5' 100.056 -2.076 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.07 0 O3'-P-O5' 99.867 -2.175 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O3'-P-O5' 100.095 -2.055 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O3'-P-O5' 100.706 -1.734 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O3'-P-O5' 100.832 -1.668 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O3'-P-O5' 101.265 -1.44 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 N19-C1'-C2' 115.58 0.862 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 tpt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.49 -0.189 . . . . 8.46 110.49 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.557 ' HA ' HG21 ' A' ' 48' ' ' ILE . 46.0 mttm -120.43 88.36 42.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.542 -0.54 . . . . 7.55 109.542 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -97.72 -0.22 1.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.292 2.661 . . . . 4.58 115.102 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.535 HG12 ' HB2' ' A' ' 8' ' ' ASP . 4.8 t -136.67 147.09 27.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 114.07 1.137 . . . . 3.82 114.07 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.49 ' N ' HG13 ' A' ' 4' ' ' VAL . 33.7 p -130.71 165.89 21.91 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 112.446 -2.161 . . . . 3.76 105.197 175.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.765 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.2 mt -60.56 -21.1 62.18 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 118.71 -1.196 . . . . 2.85 111.529 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -65.0 -38.44 90.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.637 -0.71 . . . . 4.61 111.05 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.535 ' HB2' HG12 ' A' ' 4' ' ' VAL . 28.4 m-20 -65.61 -45.78 81.82 Favored 'General case' 0 CA--C 1.507 -0.673 0 CA-C-N 114.461 -1.245 . . . . 4.13 110.785 -177.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.512 HG12 ' HB3' ' A' ' 42' ' ' MET . 90.7 t -67.17 -39.41 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-O 121.735 0.778 . . . . 2.91 108.916 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.544 ' HA ' HG13 ' A' ' 20' ' ' VAL . . . -59.45 -46.83 87.66 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.352 -1.294 . . . . 3.39 111.148 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -67.35 -49.36 64.36 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.29 -0.633 . . . . 5.24 109.29 -178.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.803 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 47.7 t80 -61.24 -30.07 70.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.287 -0.869 . . . . 4.13 111.74 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.639 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -81.68 -27.29 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.815 0.817 . . . . 2.89 109.485 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.0 34.16 9.09 Favored Glycine 0 N--CA 1.438 -1.177 0 CA-C-N 114.678 -1.146 . . . . 3.45 110.305 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.643 HG23 HG12 ' A' ' 38' ' ' VAL . 2.0 m -140.14 146.85 24.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.284 -0.958 . . . . 3.39 110.774 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -55.02 149.67 11.53 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.661 0.744 . . . . 4.52 110.72 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.634 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 64.0 t80 -49.7 -50.93 41.97 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.328 -1.306 . . . . 3.95 112.285 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.511 ' NE2' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -63.04 -27.58 69.51 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.478 -0.783 . . . . 5.71 112.402 -178.409 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.531 ' O ' HG21 ' A' ' 23' ' ' VAL . 6.5 m -63.08 -61.85 2.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.713 0.292 . . . . 3.86 110.826 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.75 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 1.6 m -69.22 -29.33 42.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.393 -0.367 . . . . 3.01 111.413 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.2 t -57.97 -45.56 86.53 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.202 -0.666 . . . . 3.29 109.202 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.81 -24.04 62.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.583 -0.735 . . . . 4.68 110.027 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.886 HG11 HG21 ' A' ' 38' ' ' VAL . 48.0 t -65.55 -51.27 65.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 109.176 -0.676 . . . . 3.04 109.176 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.71 -21.1 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 115.321 -0.854 . . . . 2.72 110.961 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.62 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 10.3 m-80 -100.42 13.0 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.873 0.694 . . . . 3.68 112.873 -177.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.62 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 21.4 mt-30 89.97 90.23 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.978 0.894 . . . . 6.64 110.377 177.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.683 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -85.0 113.6 21.55 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.343 -1.299 . . . . 4.63 110.368 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.53 -23.27 63.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.86 -0.609 . . . . 5.4 112.113 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.483 ' HB3' ' H ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -131.62 -124.55 0.2 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.292 -0.633 . . . . 6.16 109.292 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.483 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 54.8 t 71.17 156.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 120.997 0.427 . . . . 4.47 110.893 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.6 m -85.92 163.09 18.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.226 0.536 . . . . 3.8 111.572 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -61.77 -56.35 20.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.226 -0.897 . . . . 3.6 110.722 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 39.5 pttt -52.21 -29.07 20.9 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.714 0.634 . . . . 4.97 112.021 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.869 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 2.1 m -70.78 -51.17 28.71 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 121.01 -0.276 . . . . 3.04 111.645 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 12.7 mtm180 -58.76 -46.47 87.41 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.44 -0.345 . . . . 4.53 110.417 -178.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 4.1 pt-20 -67.96 -28.84 67.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.867 -0.606 . . . . 3.55 111.035 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.869 ' HD2' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -74.6 -41.68 60.01 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.54 -0.541 . . . . 3.16 109.54 179.231 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.886 HG21 HG11 ' A' ' 23' ' ' VAL . 2.3 m -68.75 -44.53 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 N-CA-C 108.309 -0.997 . . . . 2.68 108.309 177.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.546 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -57.28 -45.28 84.24 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.133 -0.939 . . . . 3.27 109.515 177.637 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.69 -54.81 40.73 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 109.072 -0.714 . . . . 2.9 109.072 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.55 -51.03 51.73 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 113.117 0.784 . . . . 2.89 113.117 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.512 ' HB3' HG12 ' A' ' 9' ' ' VAL . 15.1 ptp -64.85 -32.07 73.59 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.842 -0.343 . . . . 2.88 110.279 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.87 -44.91 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 3.6 111.067 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.41 -43.14 74.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.818 -0.628 . . . . 4.09 110.729 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -81.22 0.09 38.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.986 -0.552 . . . . 4.07 110.926 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 3.9 t30 74.9 -45.29 0.57 Allowed 'General case' 0 N--CA 1.474 0.754 0 O-C-N 123.708 0.63 . . . . 4.18 110.624 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.765 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.8 t80 53.61 84.15 0.06 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.743 0.783 . . . . 3.27 111.925 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.557 HG21 ' HA ' ' A' ' 2' ' ' LYS . 7.3 tp -74.44 132.41 78.74 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.151 -0.931 . . . . 3.99 110.311 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.85 148.85 86.76 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.804 2.336 . . . . 4.1 113.064 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -118.43 -123.97 0.28 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.868 -0.605 . . . . 5.58 110.078 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 57.18 41.28 27.28 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.031 0.532 . . . . 9.64 111.501 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.2 t 174.19 134.3 0.03 OUTLIER 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.584 -0.895 . . . . 5.87 108.584 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -150.59 97.39 2.5 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.538 -1.21 . . . . 8.15 111.009 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.408 ' HA ' ' OD1' ' B' ' 25' ' ' ASN . 0.3 OUTLIER -97.53 25.24 5.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.783 -0.644 . . . . 10.55 110.325 -179.327 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -172.24 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.439 -0.8 . . . . 13.52 110.151 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.768 ' HG ' ' H ' ' A' ' 57' ' ' ALA . 13.2 tp 54.5 -155.56 0.24 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.441 -0.8 . . . . 12.14 110.601 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.768 ' H ' ' HG ' ' A' ' 56' ' ' LEU . . . -110.47 5.75 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.082 0.468 . . . . 14.26 110.192 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.32 -67.98 1.53 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.8 -0.714 . . . . 16.04 111.813 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -74.08 -36.19 64.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.893 0.378 . . . . 17.98 110.264 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 60' ' ' GLN . 4.2 tt0 -95.29 61.66 2.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.909 -0.587 . . . . 19.89 109.978 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.74 -76.17 0.55 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.741 -0.663 . . . . 20.57 110.402 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.464 0.268 0 CA-C-N 115.7 -0.682 . . . . 22.18 111.518 179.549 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 C--O 1.234 0.264 0 CA-C-O 121.08 0.467 . . . . 10.83 110.71 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -122.93 119.98 27.72 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 8.7 110.973 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -85.16 -156.82 0.07 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.918 2.412 . . . . 4.88 110.615 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.518 HG11 ' CB ' ' B' ' 8' ' ' ASP . 60.9 t -104.56 138.71 28.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 122.23 1.014 . . . . 3.44 111.155 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.529 HG23 ' OP1' ' C' ' 11' ' ' ' DT' . 0.1 OUTLIER -109.64 154.89 22.18 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 104.578 -2.379 . . . . 3.24 104.578 176.604 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 1.036 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.0 OUTLIER -60.03 -20.63 58.89 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.279 -1.368 . . . . 2.75 110.381 -178.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.81 -33.93 76.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.78 -1.1 . . . . 4.42 110.159 177.249 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.518 ' CB ' HG11 ' B' ' 4' ' ' VAL . 1.7 m-20 -65.4 -46.3 80.59 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.642 -1.163 . . . . 3.77 109.921 -178.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.507 HG11 ' HE1' ' B' ' 42' ' ' MET . 95.9 t -67.84 -42.08 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 114.732 -1.122 . . . . 2.69 109.323 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.521 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -58.19 -46.2 86.22 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.216 -1.356 . . . . 3.33 111.273 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -49.99 65.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.481 0.658 . . . . 5.21 109.478 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.868 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 35.6 t80 -60.09 -28.83 68.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.956 -1.02 . . . . 3.88 111.587 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.464 ' HB2' HG23 ' B' ' 15' ' ' VAL . . . -84.97 -26.12 27.33 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.509 0.671 . . . . 2.94 109.562 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.49 31.77 15.3 Favored Glycine 0 CA--C 1.497 -1.08 0 CA-C-N 114.697 -1.138 . . . . 3.68 111.242 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.672 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.0 m -139.68 149.15 22.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 114.563 -0.819 . . . . 3.67 111.303 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.574 ' HB2' ' HG1' ' B' ' 19' ' ' THR . 5.6 m -47.82 156.77 0.31 Allowed 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.111 0.481 . . . . 4.41 110.891 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.793 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 65.6 t80 -54.98 -56.83 15.38 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.092 -0.958 . . . . 3.82 109.591 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.802 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.285 0.0 OUTLIER -76.79 11.04 1.87 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 118.367 -1.333 . . . . 5.51 113.538 177.631 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.672 HG21 ' HB ' ' B' ' 15' ' ' VAL . 27.0 m -72.26 -60.14 2.38 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 102.689 -3.078 . . . . 4.01 102.689 172.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.793 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.0 OUTLIER -77.25 -33.58 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.132 0 CA-C-N 111.697 -2.502 . . . . 2.96 112.252 178.077 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.802 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 17.9 t -62.93 -33.97 76.47 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.454 -0.943 . . . . 3.31 108.454 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.509 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 2.5 ttm180 -69.54 -30.78 68.67 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.498 -1.297 . . . . 5.7 107.498 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 1.048 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 72.3 t -65.19 -51.42 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.3 -1.318 . . . . 3.44 108.209 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -68.23 -20.2 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.344 -0.844 . . . . 3.12 111.291 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 4.0 m-80 -100.96 18.05 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 122.248 -0.283 . . . . 4.07 111.3 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 92.3 mm-40 89.78 81.33 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 124.105 0.962 . . . . 6.22 108.975 178.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 1.048 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -71.34 85.73 0.81 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 113.711 -1.586 . . . . 4.48 112.475 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.41 -15.01 47.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.205 0.526 . . . . 5.9 110.673 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.556 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 30.1 m-70 -137.87 87.37 2.24 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.161 -0.472 . . . . 6.89 110.678 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' B' ' 27' ' ' ALA . 14.1 m -153.32 170.29 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 CA-C-N 115.727 -0.669 . . . . 4.57 109.794 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.05 177.19 5.68 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.616 -0.434 . . . . 4.12 110.669 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.46 -67.49 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.501 0.556 . . . . 3.55 112.501 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -48.23 -47.81 35.56 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 112.391 0.515 . . . . 5.39 112.391 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.661 ' O ' HG12 ' B' ' 38' ' ' VAL . 8.0 m -50.45 -45.18 55.83 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.11 -0.496 . . . . 3.3 112.03 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 51.8 mtm180 -62.3 -41.7 98.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.22 0.533 . . . . 4.15 109.976 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -68.06 -32.42 72.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.138 -0.937 . . . . 2.94 110.323 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -71.45 -47.13 57.69 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.93 -0.577 . . . . 3.51 110.561 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.849 HG22 HG11 ' B' ' 23' ' ' VAL . 3.0 m -66.74 -43.56 89.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.439 -0.578 . . . . 2.65 109.439 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.9 mt-10 -60.13 -43.73 95.45 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.842 -0.617 . . . . 3.0 109.456 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.607 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.75 -51.88 65.39 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.012 -0.736 . . . . 2.67 109.012 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.868 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.04 -51.39 57.76 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.985 0.735 . . . . 2.68 112.985 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.525 ' HB3' ' HE1' ' B' ' 42' ' ' MET . 16.1 ptp -64.99 -31.76 73.15 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.233 -0.284 . . . . 2.74 110.233 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 -45.7 63.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.872 0.368 . . . . 3.43 111.282 -178.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 41.1 mm-40 -66.26 -44.61 83.18 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.921 -0.582 . . . . 3.81 110.841 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.4 mt -81.72 0.42 39.0 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.309 -0.859 . . . . 3.86 110.849 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 7.7 t30 74.21 -45.86 0.6 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.39 0.676 . . . . 4.39 110.809 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 1.036 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 5.1 t80 47.67 82.87 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 O-C-N 123.952 0.783 . . . . 3.22 112.264 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' B' ' 48' ' ' ILE . 7.7 tp -75.07 127.57 86.45 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.309 -0.859 . . . . 4.29 110.261 179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -66.36 113.53 2.71 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.345 2.03 . . . . 4.15 111.939 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -61.55 -58.88 6.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 5.63 111.707 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -157.99 39.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.048 0.451 . . . . 8.97 111.219 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.429 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 32.5 m -130.87 -47.45 1.03 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.488 -0.324 . . . . 6.12 111.333 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' B' ' 52' ' ' CYS . . . 68.63 -167.34 0.19 Allowed 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.752 0.657 . . . . 7.92 111.065 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -121.08 -127.33 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.314 -0.403 . . . . 11.04 110.199 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -78.57 55.29 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.264 0.554 . . . . 12.93 111.055 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mp -111.47 -27.95 8.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.862 -0.608 . . . . 12.29 110.519 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.71 110.32 2.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 12.46 110.935 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.07 18.71 74.11 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.96 -0.638 . . . . 14.22 112.49 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -140.56 -35.02 0.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.245 0.545 . . . . 16.96 110.632 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -130.49 -165.21 1.52 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.619 -0.719 . . . . 18.68 110.133 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.92 150.26 33.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.074 -0.512 . . . . 19.62 109.838 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--O 1.243 0.747 0 CA-C-O 118.82 -0.61 . . . . 21.41 109.4 179.812 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.418 H2'' ' C8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.513 -0.532 0 O4'-C1'-N19 108.571 0.964 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.418 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.13 0 O4'-C1'-N19 109.391 1.988 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.473 ' OP2' HG11 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 O4'-C1'-N19 109.118 1.647 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O3'-P-O5' 100.818 -1.675 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-N19 108.933 1.417 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-N19 109.324 1.905 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-N19 109.524 2.155 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-N19 109.323 1.903 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.422 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O3'-P-O5' 101.333 -1.404 . . . . 6.24 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.511 ' C8 ' ' H71' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C1'-N19 108.89 1.363 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.529 ' OP1' HG23 ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.455 0.824 0 O4'-C1'-N19 110.03 2.787 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O3'-P-O5' 99.718 -2.254 . . . . 4.84 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O3'-P-O5' 100.422 -1.883 . . . . 6.08 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 O3'-P-O5' 100.774 -1.698 . . . . 7.65 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C1'-N19 109.213 1.766 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O3'-P-O5' 100.733 -1.72 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O3'-P-O5' 101.453 -1.341 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 N19-C1'-C2' 115.987 1.117 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.486 0 O4'-C1'-C2' 106.954 0.777 . . . . 7.58 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.556 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.422 -1.121 0 O4'-C1'-N19 109.56 2.2 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.46 ' OP2' H2'' ' D' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 109.32 1.9 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 O3'-P-O5' 100.309 -1.942 . . . . 6.22 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 108.793 1.241 . . . . 7.47 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 O4'-C1'-N19 109.569 2.211 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-N19 109.401 2.002 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.061 0 O4'-C1'-N19 109.218 1.772 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.039 0 O3'-P-O5' 100.673 -1.751 . . . . 6.48 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.906 0 O3'-P-O5' 101.416 -1.36 . . . . 5.24 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . 0.461 " H2'" ' HH ' ' A' ' 17' ' ' TYR . . . . . . . . 0 O3'--C3' 1.421 -0.777 0 O4'-C1'-N19 109.804 2.506 . . . . 4.6 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.992 0 O4'-C1'-N19 109.557 2.196 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O3'-P-O5' 100.463 -1.862 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O3'-P-O5' 100.779 -1.695 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-N19 109.159 1.699 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-N19 109.196 1.745 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O3'-P-O5' 101.439 -1.348 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 107.049 0.863 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 mtt . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.391 -0.225 . . . . 8.46 110.391 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.486 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 29.3 ttpt -108.4 -47.67 0.1 OUTLIER Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 116.443 -0.344 . . . . 7.55 111.357 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.624 ' HA ' ' HG2' ' A' ' 49' ' ' PRO . 75.5 Cg_exo -57.25 155.22 30.54 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.395 2.063 . . . . 4.58 113.544 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.606 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 80.1 t -136.13 141.97 40.08 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 CA-C-N 115.351 -0.84 . . . . 3.82 110.175 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.414 ' N ' HG12 ' A' ' 4' ' ' VAL . 74.9 p -106.54 161.54 14.52 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.416 -1.327 . . . . 3.76 107.416 177.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.803 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.5 mt -59.53 -24.5 63.73 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.435 -0.906 . . . . 2.85 110.611 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -65.32 -37.52 87.36 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.784 0.802 . . . . 4.61 110.054 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.51 ' CB ' HG11 ' A' ' 4' ' ' VAL . 22.0 m-20 -65.04 -45.31 85.92 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.076 -1.42 . . . . 4.13 109.913 -178.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.54 HG13 ' HE1' ' A' ' 42' ' ' MET . 93.4 t -68.65 -42.06 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 CA-C-N 115.608 -0.724 . . . . 2.91 109.179 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.492 ' HA ' HG12 ' A' ' 20' ' ' VAL . . . -57.39 -46.85 82.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.628 -1.169 . . . . 3.39 111.258 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.6 -49.79 61.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.743 -0.662 . . . . 5.24 109.666 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.847 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.1 t80 -61.72 -27.65 68.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.138 -0.937 . . . . 4.13 111.549 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.57 -27.41 27.3 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.572 0.701 . . . . 2.89 109.77 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.3 35.52 8.72 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 114.792 -1.095 . . . . 3.45 110.863 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.542 HG23 HG13 ' A' ' 38' ' ' VAL . 3.8 m -139.35 146.06 26.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 114.416 -0.892 . . . . 3.39 110.378 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 19' ' ' THR . 78.7 p -57.16 145.77 30.22 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.284 -0.567 . . . . 4.52 109.998 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.657 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 84.7 t80 -46.53 -51.26 15.83 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.038 -0.983 . . . . 3.95 112.968 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -20.13 65.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.103 -0.499 . . . . 5.71 111.904 -178.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 23' ' ' VAL . 77.8 m -68.93 -61.28 1.86 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.826 -0.435 . . . . 3.86 109.826 178.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.521 ' CG1' HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -68.75 -29.01 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 3.01 111.501 -179.482 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -56.98 -45.32 83.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.733 -0.469 . . . . 3.29 109.733 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.28 -29.46 66.23 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.275 -0.639 . . . . 4.68 109.275 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.136 HG11 HG23 ' A' ' 38' ' ' VAL . 53.7 t -65.95 -49.91 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 114.811 -1.086 . . . . 3.04 109.718 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -20.11 26.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.11 -0.95 . . . . 2.72 111.56 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 2.5 m-80 -90.86 -14.34 31.98 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.509 0.559 . . . . 3.68 112.509 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.566 ' HB2' ' H ' ' A' ' 62' ' ' LEU . 29.4 pt20 153.63 -42.37 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 O-C-N 124.293 0.996 . . . . 6.64 111.356 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 1.025 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 63.9 175.35 0.17 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.172 0.589 . . . . 4.63 111.315 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 p -172.92 -76.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.217 0.532 . . . . 5.4 110.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -90.03 75.24 7.15 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.727 0.775 . . . . 6.16 109.167 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 t -141.25 150.05 20.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.397 -1.274 . . . . 4.47 109.165 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.55 ' HG ' " C3'" ' C' ' 2' ' ' ' DG' . 26.8 m -73.41 162.25 29.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.279 0.561 . . . . 3.8 111.607 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -63.69 -60.0 3.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.154 -0.93 . . . . 3.6 111.215 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -50.03 -45.23 51.87 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.695 0.622 . . . . 4.97 111.416 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.688 ' O ' HG12 ' A' ' 38' ' ' VAL . 4.4 m -50.12 -48.22 53.6 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.352 -0.84 . . . . 3.04 111.754 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -65.02 -37.37 87.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.708 -0.478 . . . . 4.53 109.708 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 22.6 mt-10 -66.66 -34.16 77.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.57 -0.741 . . . . 3.55 109.726 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -73.1 -47.69 42.18 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.496 -0.775 . . . . 3.16 110.541 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.136 HG23 HG11 ' A' ' 23' ' ' VAL . 2.8 m -63.87 -46.4 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 109.179 -0.674 . . . . 2.68 109.179 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' N ' HG21 ' A' ' 38' ' ' VAL . 16.1 mt-10 -58.66 -48.59 80.54 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.468 -0.787 . . . . 3.27 109.81 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.625 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -58.98 -54.21 49.69 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.39 -0.596 . . . . 2.9 109.39 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.847 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.6 -52.17 49.71 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 113.421 0.897 . . . . 2.89 113.421 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.54 ' HE1' HG13 ' A' ' 9' ' ' VAL . 17.6 ptp -65.84 -32.54 74.12 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.511 -0.476 . . . . 2.88 110.308 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.83 -44.02 67.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 3.6 111.227 -178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.625 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.2 mm-40 -68.27 -44.21 76.05 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.818 -0.628 . . . . 4.09 110.577 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.6 mt -80.48 0.25 34.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.578 -0.737 . . . . 4.07 110.691 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 6.3 t30 73.73 -51.78 0.7 Allowed 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.722 0.639 . . . . 4.18 110.164 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.803 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 3.9 t80 49.75 85.56 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.321 0.86 . . . . 3.27 113.321 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.555 HG22 ' CD ' ' A' ' 49' ' ' PRO . 1.2 mp -124.89 -57.9 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.607 -0.724 . . . . 3.99 110.318 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.624 ' HG2' ' HA ' ' A' ' 3' ' ' PRO . 20.0 Cg_endo -97.29 107.81 0.09 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.614 2.209 . . . . 4.1 112.983 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 4' ' ' VAL . 31.0 p-10 -88.07 -25.52 23.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.802 -0.635 . . . . 5.58 110.593 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 28.3 ttp85 170.36 -30.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.069 -1.085 . . . . 9.64 108.069 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' B' ' 52' ' ' CYS . 50.3 t -173.72 -60.12 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 114.625 -1.171 . . . . 5.87 108.916 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HB2' ' HA ' ' B' ' 52' ' ' CYS . . . -177.44 -169.8 0.25 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.7 -0.682 . . . . 8.15 109.422 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.415 HE21 " H3'" ' D' ' 11' ' ' ' DT' . 51.1 mt-30 -126.31 172.65 9.94 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.445 -0.576 . . . . 10.55 109.445 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.502 ' HG2' HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -83.65 22.86 1.03 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.226 0.536 . . . . 13.52 109.873 179.425 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 55' ' ' GLN . 1.5 mm? -127.27 134.32 50.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.792 -0.64 . . . . 12.14 110.394 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.85 23.1 12.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.344 0.592 . . . . 14.26 110.106 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.35 93.63 0.47 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.369 -0.832 . . . . 16.04 111.561 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -137.8 108.03 6.44 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.994 -0.373 . . . . 17.98 109.994 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.85 54.59 0.59 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.395 0.616 . . . . 19.89 109.384 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -11.22 58.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.424 -0.807 . . . . 20.57 112.0 -178.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.566 ' H ' ' HB2' ' A' ' 26' ' ' GLN . 51.9 tp . . . . . 0 C--O 1.236 0.383 0 CA-C-N 115.991 -0.55 . . . . 22.18 111.148 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.9 tpp . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.424 0.154 . . . . 10.83 110.622 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? 68.09 105.09 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.265 0 O-C-N 123.932 0.77 . . . . 8.7 111.397 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.77 121.16 9.54 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.621 2.214 . . . . 4.88 111.923 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.561 HG11 ' CB ' ' B' ' 8' ' ' ASP . 83.2 t -69.88 140.71 18.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 122.048 0.928 . . . . 3.44 111.53 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.3 OUTLIER -97.47 151.37 20.06 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 105.916 -1.883 . . . . 3.24 105.916 177.029 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.848 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.1 mt -60.11 -21.87 62.08 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.187 -1.405 . . . . 2.75 109.922 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -36.16 83.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.761 -1.109 . . . . 4.42 109.962 177.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.561 ' CB ' HG11 ' B' ' 4' ' ' VAL . 4.9 m-20 -65.45 -44.04 88.52 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.429 -1.26 . . . . 3.77 109.867 -178.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.524 HG11 ' HE3' ' B' ' 42' ' ' MET . 96.0 t -67.29 -41.6 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 115.192 -0.913 . . . . 2.69 109.254 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' B' ' 17' ' ' TYR . . . -60.15 -46.33 90.04 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.189 -1.369 . . . . 3.33 111.444 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -65.03 -49.37 70.42 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.193 -0.669 . . . . 5.21 109.193 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.779 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 45.2 t80 -60.4 -28.12 67.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.828 -1.078 . . . . 3.88 111.477 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.488 ' HB3' HG23 ' B' ' 15' ' ' VAL . . . -86.16 -26.09 25.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.743 0.782 . . . . 2.94 109.562 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.64 31.98 16.95 Favored Glycine 0 CA--C 1.5 -0.869 0 CA-C-N 114.582 -1.19 . . . . 3.68 111.253 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.71 ' HB ' HG23 ' B' ' 19' ' ' THR . 16.9 m -139.98 150.61 21.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.212 -0.994 . . . . 3.67 111.836 -176.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -50.75 151.31 2.47 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.439 0.638 . . . . 4.41 110.591 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.848 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.9 t80 -47.91 -58.44 4.39 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.315 -0.857 . . . . 3.82 110.666 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.882 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.4 11.58 0.95 Allowed 'General case' 0 C--O 1.245 0.82 0 N-CA-C 113.969 1.099 . . . . 5.51 113.969 -179.106 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.71 HG23 ' HB ' ' B' ' 15' ' ' VAL . 98.9 m -77.51 -63.04 1.47 Allowed 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 102.066 -3.309 . . . . 4.01 102.066 173.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.999 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.8 OUTLIER -75.63 -30.54 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 112.586 -2.097 . . . . 2.96 112.056 176.66 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.882 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 8.6 t -63.69 -37.11 86.12 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.019 -0.734 . . . . 3.31 109.019 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -68.34 -28.31 67.03 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 107.595 -1.261 . . . . 5.7 107.595 178.313 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.946 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 69.8 t -65.12 -51.03 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.925 0 CA-C-N 114.429 -1.259 . . . . 3.44 108.564 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.67 -21.3 25.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 115.295 -0.866 . . . . 3.12 111.446 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.636 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 3.5 m-80 -99.15 20.05 14.18 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.451 -0.341 . . . . 4.07 111.409 -177.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.636 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 24.7 mt-30 95.32 82.67 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.671 0 O-C-N 124.661 1.225 . . . . 6.22 108.924 178.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.946 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -75.85 62.46 1.57 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.027 -1.442 . . . . 4.48 112.356 -178.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p -78.39 -17.17 56.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.421 0.629 . . . . 5.9 110.108 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -127.2 78.39 1.81 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.613 -0.721 . . . . 6.89 110.251 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.677 HG22 ' HB3' ' B' ' 27' ' ' ALA . 41.6 t -152.82 154.84 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 116.171 -0.468 . . . . 4.57 110.11 -178.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.542 ' N ' HG11 ' B' ' 30' ' ' VAL . 0.1 OUTLIER -87.75 169.1 12.38 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.886 0.374 . . . . 4.12 110.789 179.323 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' B' ' 36' ' ' GLU . . . -58.6 -71.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.356 0.873 . . . . 3.55 113.356 -178.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 21.1 pttm -45.24 -38.64 5.64 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.462 0.912 . . . . 5.39 113.462 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.684 ' O ' HG11 ' B' ' 38' ' ' VAL . 5.3 m -62.97 -51.37 67.12 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 112.052 0.39 . . . . 3.3 112.052 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.433 ' HA ' HG23 ' B' ' 38' ' ' VAL . 16.5 mtm180 -61.99 -36.46 81.58 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 120.98 0.419 . . . . 4.15 110.702 -178.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' B' ' 32' ' ' ALA . 39.7 mm-40 -66.08 -40.04 90.51 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.476 -0.784 . . . . 2.94 111.39 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 33' ' ' LYS . 6.4 pttt -82.07 -35.96 28.13 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 119.742 -0.783 . . . . 3.51 111.995 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.999 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 4.4 m -65.25 -46.97 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 109.043 -0.725 . . . . 2.65 109.043 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.541 ' N ' HG22 ' B' ' 38' ' ' VAL . 11.6 mt-10 -63.39 -37.16 86.21 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.054 -0.721 . . . . 3.0 109.054 177.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' B' ' 37' ' ' LYS . . . -60.31 -56.11 25.43 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.086 -1.079 . . . . 2.67 108.086 176.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.779 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.25 -51.22 46.43 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.498 -0.773 . . . . 2.68 112.861 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.525 ' HE3' ' HB3' ' B' ' 42' ' ' MET . 17.1 ptp -64.62 -32.69 74.45 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.577 -0.449 . . . . 2.74 110.265 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.31 -45.86 62.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 3.43 111.119 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -41.75 88.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.838 -0.619 . . . . 3.81 110.177 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.3 mt -80.72 0.45 34.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.588 -0.733 . . . . 3.86 110.585 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.489 ' C ' HD21 ' B' ' 46' ' ' ASN . 0.2 OUTLIER 76.88 -54.21 0.57 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.436 0.694 . . . . 4.39 110.096 179.77 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.792 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 4.4 t80 45.27 95.73 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.173 0.921 . . . . 3.22 112.279 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.84 137.82 44.46 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.599 -0.728 . . . . 4.29 111.721 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -86.74 38.56 0.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 123.065 2.51 . . . . 4.15 113.266 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.412 ' HB2' HD11 ' B' ' 62' ' ' LEU . 14.3 t-20 -141.26 89.54 2.24 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.801 -0.444 . . . . 5.63 109.801 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -143.3 32.49 1.34 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.002 -0.545 . . . . 8.97 110.398 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.51 ' HA ' ' HB2' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -175.19 123.24 0.23 Allowed 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.861 0.838 . . . . 6.12 109.963 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.91 77.34 1.16 Allowed 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 113.976 -1.465 . . . . 7.92 110.526 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -97.71 -67.73 0.83 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.032 -0.531 . . . . 11.04 110.685 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -128.85 5.07 5.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.506 -0.315 . . . . 12.93 111.348 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' B' ' 56' ' ' LEU . 0.4 OUTLIER -161.25 117.24 2.17 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.127 -0.324 . . . . 12.29 110.127 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -172.19 109.41 0.24 Allowed 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.755 0.659 . . . . 12.46 110.031 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.55 54.31 3.53 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.528 -0.844 . . . . 14.22 112.178 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -95.43 -55.9 2.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.565 -0.531 . . . . 16.96 109.565 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -150.32 -73.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.728 -0.669 . . . . 18.68 110.484 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 3.8 m -96.93 -13.11 22.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.275 0.56 . . . . 19.62 110.023 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.412 HD11 ' HB2' ' B' ' 50' ' ' ASN . 19.2 tp . . . . . 0 C--O 1.252 1.214 0 CA-C-O 117.353 -1.308 . . . . 21.41 108.19 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.554 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 O4'-C1'-N19 108.6 1.0 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.55 " C3'" ' HG ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 O4'-C1'-N19 109.478 2.097 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.402 ' OP2' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 109.215 1.769 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 O3'-P-O5' 100.56 -1.811 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-N19 108.878 1.347 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C1'-N19 109.428 2.036 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C1'-N19 109.474 2.092 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C1'-N19 109.389 1.987 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.416 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O3'-P-O5' 100.896 -1.634 . . . . 6.24 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.443 ' C8 ' ' H71' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-N19 108.879 1.349 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.445 " H3'" ' OH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 O4'--C4' 1.456 0.886 0 O4'-C1'-N19 110.33 3.163 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.416 ' OP2' H2'' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.419 -0.948 0 O3'-P-O5' 99.28 -2.484 . . . . 4.84 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O3'-P-O5' 100.082 -2.062 . . . . 6.08 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O4'-C1'-N19 109.224 1.78 . . . . 7.65 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.04 0 O3'-P-O5' 100.983 -1.588 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-N19 109.265 1.831 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O3'-P-O5' 101.499 -1.316 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.153 0.957 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.576 0 O4'-C1'-N19 108.77 1.213 . . . . 7.58 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.581 " H3'" ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 O4'-C1'-N19 109.437 2.046 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.456 H2'' ' OP2' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.07 0 O4'-C1'-N19 109.793 2.492 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.456 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.65 0 O3'-P-O5' 100.13 -2.037 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . 0.4 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-N19 109.005 1.507 . . . . 7.47 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-N19 109.644 2.305 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 109.573 2.216 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-N19 109.259 1.823 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.406 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O3'-P-O5' 100.614 -1.782 . . . . 6.48 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . 0.406 ' C8 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-N19 108.986 1.483 . . . . 5.24 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . 0.52 " H2'" ' HH ' ' A' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.817 2.521 . . . . 4.6 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.079 0 O3'-P-O5' 100.071 -2.068 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O3'-P-O5' 99.852 -2.183 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O3'-P-O5' 100.577 -1.802 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-N19 109.227 1.783 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 O4'-C1'-N19 109.277 1.846 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O3'-P-O5' 101.335 -1.402 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 107.156 0.96 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.9 ttp . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.815 0.341 . . . . 8.46 110.991 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -112.59 133.32 21.88 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.018 -0.537 . . . . 7.55 109.659 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -51.75 128.4 26.23 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.805 2.336 . . . . 4.58 112.035 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.678 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 48.5 t -103.37 145.14 12.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.259 1.028 . . . . 3.82 112.38 -177.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.463 ' N ' HG12 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -114.8 159.36 20.7 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 105.975 -1.861 . . . . 3.76 105.975 176.626 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.836 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.8 mt -58.29 -24.26 58.96 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 119.144 -1.023 . . . . 2.85 111.687 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -64.63 -35.86 82.38 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.73 0.776 . . . . 4.61 110.553 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.472 ' CB ' HG11 ' A' ' 4' ' ' VAL . 8.2 m-20 -66.12 -46.53 77.24 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 114.469 -1.241 . . . . 4.13 110.408 -177.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.516 HG11 ' HE2' ' A' ' 42' ' ' MET . 95.2 t -67.85 -41.25 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 CA-C-N 115.514 -0.766 . . . . 2.91 109.368 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.74 -46.4 84.53 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.666 -1.152 . . . . 3.39 111.32 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -49.96 57.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.929 -0.578 . . . . 5.24 109.714 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.833 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 49.7 t80 -61.34 -27.96 68.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.156 -0.929 . . . . 4.13 111.673 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.68 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -84.03 -28.51 27.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.621 0.724 . . . . 2.89 109.749 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.3 36.4 7.56 Favored Glycine 0 N--CA 1.44 -1.059 0 N-CA-C 110.563 -1.015 . . . . 3.45 110.563 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.604 ' CG1' ' HD3' ' A' ' 37' ' ' LYS . 2.2 m -140.61 147.1 23.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.368 -0.916 . . . . 3.39 110.657 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 m -56.01 150.08 14.28 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.652 0.739 . . . . 4.52 110.406 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.661 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 78.3 t80 -52.63 -50.2 63.6 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 114.393 -1.276 . . . . 3.95 111.657 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -21.76 64.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.387 -0.824 . . . . 5.71 111.76 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.5 m -70.15 -61.86 1.61 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.776 0.322 . . . . 3.86 110.504 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.526 HG11 ' HA ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -69.13 -29.34 42.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.045 -0.525 . . . . 3.01 111.831 -179.159 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 t -58.7 -42.63 89.07 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.341 -0.615 . . . . 3.29 109.341 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -29.9 67.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.014 -0.735 . . . . 4.68 109.014 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.028 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 76.8 t -66.47 -49.55 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.725 -1.125 . . . . 3.04 110.176 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.26 -16.62 19.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.019 -0.991 . . . . 2.72 111.609 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -103.52 -11.38 17.81 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.144 0.794 . . . . 3.68 113.144 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 171.83 -64.22 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.164 0.586 . . . . 6.64 111.587 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 1.028 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 66.25 68.96 0.44 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.784 -0.644 . . . . 4.63 111.177 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -78.18 -40.78 36.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.876 -0.602 . . . . 5.4 111.402 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -121.15 88.31 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 6.16 110.29 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.801 HG22 ' HB3' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -146.95 151.99 13.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.665 -0.698 . . . . 4.47 110.3 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.63 170.08 17.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.808 0.337 . . . . 3.8 111.245 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.524 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -63.08 -71.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.727 -0.67 . . . . 3.6 111.923 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 33' ' ' LYS . 24.0 tptt -43.83 -42.07 5.42 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 122.893 0.477 . . . . 4.97 112.238 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.988 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 55.3 m -56.13 -50.29 71.52 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 112.426 0.528 . . . . 3.04 112.426 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 mtm-85 -64.89 -39.55 93.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.402 0.62 . . . . 4.53 109.764 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 8.3 mm-40 -67.06 -30.82 70.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.816 -1.084 . . . . 3.55 110.497 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.988 ' HD2' ' HA ' ' A' ' 34' ' ' THR . 1.6 ptmt -80.67 -39.74 26.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.567 -0.288 . . . . 3.16 110.453 -178.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.002 HG23 HG13 ' A' ' 23' ' ' VAL . 3.6 m -66.71 -47.43 83.09 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 N-CA-C 108.773 -0.825 . . . . 2.68 108.773 178.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.497 ' N ' HG21 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -61.72 -40.33 94.67 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.948 -0.569 . . . . 3.27 109.838 178.192 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.631 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -62.15 -53.82 49.85 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.914 -0.773 . . . . 2.9 108.914 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.833 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.74 -51.46 56.04 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.826 -0.624 . . . . 2.89 112.596 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.516 ' HE2' HG11 ' A' ' 9' ' ' VAL . 17.2 ptp -64.8 -31.86 73.29 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 120.8 -0.36 . . . . 2.88 110.204 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.24 66.66 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.0 0.429 . . . . 3.6 111.222 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.631 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 14.6 mm-40 -69.15 -44.77 71.6 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.944 -0.571 . . . . 4.09 110.57 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -80.55 -1.09 40.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.536 -0.756 . . . . 4.07 109.975 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 t30 70.71 -39.78 0.46 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.138 0.975 . . . . 4.18 111.398 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.836 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.2 t80 52.08 54.53 10.66 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 122.053 0.93 . . . . 3.27 110.061 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 48' ' ' ILE . 8.0 tp -64.92 130.09 94.71 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 114.154 -1.385 . . . . 3.99 112.115 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -82.58 161.93 16.79 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.533 2.155 . . . . 4.1 111.494 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -52.02 65.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.455 -0.339 . . . . 5.58 111.046 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -178.22 81.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.075 -0.713 . . . . 9.64 109.075 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.51 109.79 5.91 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 122.009 0.909 . . . . 5.87 110.569 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.88 97.47 5.55 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 113.919 -1.491 . . . . 8.15 109.619 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' C ' ' H ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -137.08 -42.71 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.011 0.434 . . . . 10.55 111.542 -178.328 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -76.36 30.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.574 0.583 . . . . 13.52 112.574 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -127.29 88.18 2.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.083 0.468 . . . . 12.14 110.297 178.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.72 -82.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 14.26 111.084 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.79 109.32 0.35 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.665 -0.778 . . . . 16.04 112.388 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -153.45 -56.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.182 0.515 . . . . 17.98 109.87 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.73 17.79 22.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.423 -0.808 . . . . 19.89 110.327 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.52 -28.25 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.652 -0.704 . . . . 20.57 111.13 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' A' ' 62' ' ' LEU . 3.2 mm? . . . . . 0 N--CA 1.467 0.4 0 CA-C-N 115.766 -0.652 . . . . 22.18 111.156 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.9 ttt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.8 0.334 . . . . 10.83 110.71 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.449 ' CB ' ' HD3' ' B' ' 3' ' ' PRO . 4.0 ttmt -173.53 -56.37 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.674 -0.694 . . . . 8.7 110.724 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.449 ' HD3' ' CB ' ' B' ' 2' ' ' LYS . 38.3 Cg_exo -66.19 103.23 0.62 Allowed 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.282 1.988 . . . . 4.88 112.497 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.562 HG12 ' CB ' ' B' ' 8' ' ' ASP . 44.5 t -132.49 143.74 38.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 114.558 -1.201 . . . . 3.44 108.737 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.2 OUTLIER -90.92 148.74 22.24 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 106.763 -1.569 . . . . 3.24 106.763 177.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 1.095 ' HG ' ' HH ' ' B' ' 47' ' ' TYR . 1.5 mt -59.67 -22.7 62.31 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 118.705 -1.198 . . . . 2.75 110.077 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.502 ' HE1' ' HB2' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -65.39 -36.3 83.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.85 -1.068 . . . . 4.42 109.965 176.692 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.562 ' CB ' HG12 ' B' ' 4' ' ' VAL . 4.6 m-20 -65.9 -43.39 88.37 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.455 -1.248 . . . . 3.77 109.584 -178.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.5 HG12 ' HE3' ' B' ' 42' ' ' MET . 76.1 t -68.61 -42.74 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-O 121.772 0.796 . . . . 2.69 109.075 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.447 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -57.48 -46.42 83.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.241 -1.345 . . . . 3.33 111.819 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.27 -48.56 67.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.243 -0.651 . . . . 5.21 109.243 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.813 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.2 t80 -59.75 -28.66 67.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.996 -1.002 . . . . 3.88 111.302 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.473 ' HB3' HG21 ' B' ' 15' ' ' VAL . . . -85.01 -26.91 26.77 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.461 0.648 . . . . 2.94 109.277 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.56 31.11 16.81 Favored Glycine 0 CA--C 1.498 -1.018 0 CA-C-N 114.764 -1.107 . . . . 3.68 111.263 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.656 ' HB ' HG21 ' B' ' 19' ' ' THR . 13.3 m -139.14 149.78 23.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.461 -0.87 . . . . 3.67 110.334 -177.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.68 158.92 0.41 Allowed 'General case' 0 C--O 1.25 1.089 0 CA-C-O 121.661 0.744 . . . . 4.41 109.762 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.86 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 71.1 t80 -53.25 -60.25 3.54 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-N 114.993 -1.003 . . . . 3.82 110.11 -178.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.692 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -75.73 13.89 0.74 Allowed 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 114.642 1.349 . . . . 5.51 114.642 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.656 HG21 ' HB ' ' B' ' 15' ' ' VAL . 90.1 m -77.69 -59.32 2.83 Favored 'General case' 0 CA--C 1.49 -1.342 1 N-CA-C 99.851 -4.129 . . . . 4.01 99.851 171.316 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.807 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 0.5 OUTLIER -76.31 -33.72 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 112.957 -1.929 . . . . 2.96 113.206 176.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.692 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 33.1 t -64.95 -36.35 84.1 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.707 -1.245 . . . . 3.31 109.563 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 2.7 ttm180 -63.47 -33.6 75.91 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 106.927 -1.509 . . . . 5.7 106.927 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.967 ' HA ' ' HB3' ' B' ' 27' ' ' ALA . 54.8 t -65.31 -51.76 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 113.759 -1.564 . . . . 3.44 109.533 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.0 -21.85 28.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.751 -1.113 . . . . 3.12 112.442 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.489 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 2.9 m-80 -92.07 -12.21 33.69 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.849 -0.74 . . . . 4.07 112.727 -176.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.489 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 3.8 pt20 157.92 -41.41 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.765 0.666 . . . . 6.22 111.113 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.967 ' HB3' ' HA ' ' B' ' 23' ' ' VAL . . . 60.22 71.97 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.254 -0.884 . . . . 4.48 111.685 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.0 -23.36 41.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.012 -0.54 . . . . 5.9 111.292 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.644 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 57.4 m-70 -139.24 91.22 2.49 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.819 -0.437 . . . . 6.89 109.819 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.471 HG13 HG23 ' B' ' 23' ' ' VAL . 15.3 m -146.9 165.86 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 4.57 110.822 -179.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.96 -176.56 3.11 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.911 -0.315 . . . . 4.12 110.972 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.28 -70.87 0.29 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.92 0.711 . . . . 3.55 112.92 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -45.88 -39.18 8.29 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.814 0.672 . . . . 5.39 112.814 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.669 ' O ' HG11 ' B' ' 38' ' ' VAL . 12.0 m -59.83 -50.19 74.75 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 112.153 0.427 . . . . 3.3 112.153 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.422 ' HA ' HG21 ' B' ' 38' ' ' VAL . 70.0 mtm180 -64.19 -36.78 85.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.892 0.377 . . . . 4.15 110.294 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.14 -34.21 77.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.618 -0.719 . . . . 2.94 109.912 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -76.16 -44.39 38.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.984 -0.553 . . . . 3.51 111.207 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.881 HG22 HG12 ' B' ' 23' ' ' VAL . 3.5 m -67.19 -46.34 84.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 110.117 -0.327 . . . . 2.65 110.117 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.499 ' N ' HG23 ' B' ' 38' ' ' VAL . 18.0 mt-10 -62.69 -37.88 88.2 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.507 -0.553 . . . . 3.0 109.507 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.582 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -63.24 -54.04 43.49 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 108.418 -0.956 . . . . 2.67 108.418 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.813 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.43 -51.43 54.9 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.43 -0.804 . . . . 2.68 112.794 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.56 ' HB2' ' HB3' ' B' ' 47' ' ' TYR . 16.7 ptp -65.05 -33.08 75.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.75 0.309 . . . . 2.74 110.278 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.85 -43.07 69.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.908 0.385 . . . . 3.43 111.059 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 7.4 mm-40 -67.74 -43.27 80.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.87 -0.605 . . . . 3.81 110.931 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.7 mt -79.83 -1.24 38.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.768 -0.651 . . . . 3.86 110.902 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.405 ' ND2' ' HG3' ' B' ' 2' ' ' LYS . 0.2 OUTLIER 56.87 40.62 28.81 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.826 0.822 . . . . 4.39 110.188 179.666 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 1.095 ' HH ' ' HG ' ' B' ' 6' ' ' LEU . 20.0 t80 -58.23 116.78 3.8 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.38 -1.282 . . . . 3.22 111.11 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.413 HG23 ' O ' ' B' ' 2' ' ' LYS . 0.2 OUTLIER -54.2 143.13 45.71 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 114.969 -1.014 . . . . 4.29 110.564 178.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.83 41.86 0.88 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.024 2.483 . . . . 4.15 114.425 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 1.8 t-20 -164.8 -133.69 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 109.824 -0.435 . . . . 5.63 109.824 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.54 ' HD2' ' HG3' ' B' ' 54' ' ' GLN . 3.4 tmt_? 167.51 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 124.066 0.946 . . . . 8.97 109.262 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.524 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 64.8 m 79.89 108.66 0.07 Allowed 'General case' 0 CA--C 1.518 -0.257 0 O-C-N 124.146 0.904 . . . . 6.12 111.577 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 63.6 82.23 0.19 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.4 -1.273 . . . . 7.92 112.746 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.54 ' HG3' ' HD2' ' B' ' 51' ' ' ARG . 1.1 mp0 -108.29 -75.1 0.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.738 -0.665 . . . . 11.04 109.999 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -83.62 -47.31 11.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.916 -0.584 . . . . 12.93 109.812 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' B' ' 56' ' ' LEU . 2.7 mm? -74.87 88.02 2.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.549 -0.751 . . . . 12.29 110.483 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -161.51 50.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.665 -0.698 . . . . 12.46 110.086 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.24 -79.99 1.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.966 -0.635 . . . . 14.22 112.028 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.539 ' H ' H5'' ' D' ' 10' ' ' ' DA' . 13.4 mptt 57.75 50.71 10.26 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 122.982 0.513 . . . . 16.96 111.486 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -107.73 -158.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.845 -0.616 . . . . 18.68 110.031 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.46 19.82 17.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.682 0.252 . . . . 19.62 111.682 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 55.1 mt . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.439 -0.791 . . . . 21.41 110.348 -179.719 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.515 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.428 0.606 0 O5'-C5'-C4' 111.388 0.849 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.407 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O4'-C1'-N19 109.618 2.272 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.407 ' OP2' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-N19 109.238 1.798 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O3'-P-O5' 100.631 -1.773 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-N19 108.935 1.419 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-N19 109.474 2.093 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-N19 109.624 2.28 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-N19 109.358 1.948 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.453 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.906 0 O3'-P-O5' 101.105 -1.523 . . . . 6.24 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.453 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-N19 108.952 1.44 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.445 " H3'" ' OH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-N19 109.889 2.611 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.463 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.418 -0.994 0 O3'-P-O5' 99.164 -2.545 . . . . 4.84 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.463 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 O3'-P-O5' 100.459 -1.864 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.018 0 O4'-C1'-N19 109.232 1.79 . . . . 7.65 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C1'-N19 109.269 1.836 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-N19 109.153 1.691 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 N19-C1'-C2' 116.276 1.297 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 N19-C1'-C2' 115.93 1.081 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . 0.492 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.645 0 O4'-C1'-N19 108.516 0.896 . . . . 7.58 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.644 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-N19 109.597 2.246 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.451 ' OP2' H2'' ' D' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-N19 109.328 1.91 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 O3'-P-O5' 100.51 -1.837 . . . . 6.22 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-N19 108.916 1.396 . . . . 7.47 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-N19 109.529 2.162 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-N19 109.661 2.326 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-N19 109.173 1.716 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O3'-P-O5' 100.78 -1.695 . . . . 6.48 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . 0.539 H5'' ' H ' ' B' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O3'-P-O5' 101.394 -1.372 . . . . 5.24 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . 0.451 ' OP1' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 O3'--C3' 1.42 -0.856 0 O4'-C1'-N19 109.923 2.654 . . . . 4.6 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O3'-P-O5' 100.186 -2.007 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O3'-P-O5' 99.977 -2.117 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O3'-P-O5' 100.782 -1.694 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-N19 109.205 1.756 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.08 0 O4'-C1'-N19 109.177 1.721 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O3'-P-O5' 101.514 -1.308 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C1'-C2' 107.153 0.958 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.3 ttp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.561 0.22 . . . . 8.46 110.952 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 2.8 ttpt -100.05 108.39 51.77 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.641 0.258 . . . . 7.55 111.045 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 6.3 Cg_exo -78.89 -77.95 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.898 2.399 . . . . 4.58 111.583 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.538 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 25.8 t -131.5 146.52 33.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.027 0.918 . . . . 3.82 111.384 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.471 ' N ' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -119.89 160.34 22.88 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 105.898 -1.89 . . . . 3.76 105.898 176.438 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.703 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 3.7 mt -57.79 -23.43 52.38 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.856 -0.738 . . . . 2.85 111.715 -178.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -64.57 -38.7 91.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.864 0.84 . . . . 4.61 110.293 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.48 ' HB2' HG12 ' A' ' 4' ' ' VAL . 44.7 m-20 -65.72 -44.34 86.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.062 -1.426 . . . . 4.13 109.819 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.508 HG13 ' HE3' ' A' ' 42' ' ' MET . 89.5 t -68.62 -42.98 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 CA-C-O 121.537 0.684 . . . . 2.91 109.41 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.523 ' HA ' HG12 ' A' ' 20' ' ' VAL . . . -57.06 -47.77 80.17 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.497 -1.229 . . . . 3.39 111.529 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.48 -47.9 68.7 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.836 -0.62 . . . . 5.24 109.643 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.768 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 55.6 t80 -62.29 -28.32 69.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.298 -0.865 . . . . 4.13 111.679 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.436 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -83.06 -27.52 30.21 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.774 0.797 . . . . 2.89 109.736 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.91 34.12 9.22 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 114.577 -1.192 . . . . 3.45 110.909 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.702 HG12 HG23 ' A' ' 34' ' ' THR . 4.1 m -139.29 147.04 24.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 114.261 -0.97 . . . . 3.39 110.178 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -55.45 149.38 13.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.766 0.793 . . . . 4.52 110.722 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 65.5 t80 -51.58 -51.18 57.62 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.336 -1.302 . . . . 3.95 112.2 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HB2' HH21 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -62.02 -22.75 65.96 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.981 -1.009 . . . . 5.71 111.989 -179.145 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.2 m -69.93 -60.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.339 0.256 . . . . 3.86 110.864 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.637 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 1.3 m -67.98 -28.52 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.414 -0.357 . . . . 3.01 111.712 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.5 t -54.97 -45.04 74.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.508 -0.553 . . . . 3.29 109.508 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.429 HH21 ' HB2' ' A' ' 18' ' ' GLN . 10.6 mtt180 -70.28 -27.84 64.73 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.801 -0.636 . . . . 4.68 109.954 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.908 HG12 HG21 ' A' ' 38' ' ' VAL . 77.1 t -63.02 -48.9 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 115.333 -0.848 . . . . 3.04 109.553 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.06 -20.5 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.527 0.679 . . . . 2.72 109.815 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.591 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 10.0 m120 -96.39 5.49 50.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 3.68 111.006 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.591 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 13.0 mm100 86.57 -43.63 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.207 1.003 . . . . 6.64 111.048 178.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.51 -134.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 4.63 112.272 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 p -160.52 -43.98 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.84 0.353 . . . . 5.4 111.621 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.522 ' HB3' ' H ' ' A' ' 30' ' ' VAL . 10.6 m170 -106.31 -129.35 0.27 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 110.269 -0.271 . . . . 6.16 110.269 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.522 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 42.9 t 74.84 151.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 115.515 -0.766 . . . . 4.47 110.361 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.85 167.31 15.29 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.024 0.44 . . . . 3.8 111.461 -178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.612 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -62.44 -66.21 0.57 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.478 -0.783 . . . . 3.6 112.234 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -45.84 -36.19 5.05 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.101 0.778 . . . . 4.97 113.101 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.728 ' O ' HG11 ' A' ' 38' ' ' VAL . 32.7 m -62.63 -49.74 73.98 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 111.855 0.317 . . . . 3.04 111.855 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 32' ' ' ALA . 7.0 mtm180 -61.67 -42.23 98.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.095 0.474 . . . . 4.53 110.326 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 5.5 mm-40 -65.79 -30.07 70.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.186 -0.916 . . . . 3.55 109.322 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -73.92 -46.2 45.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.819 -0.628 . . . . 3.16 110.083 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.908 HG21 HG12 ' A' ' 23' ' ' VAL . 1.9 m -65.35 -46.35 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 109.286 -0.635 . . . . 2.68 109.286 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -59.78 -40.93 89.9 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.271 -0.64 . . . . 3.27 109.271 178.027 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.89 -56.3 22.75 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 108.601 -0.888 . . . . 2.9 108.601 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.768 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.53 -51.08 51.03 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 112.798 0.666 . . . . 2.89 112.798 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.508 ' HE3' HG13 ' A' ' 9' ' ' VAL . 15.4 ptp -64.9 -32.16 73.74 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.825 -0.35 . . . . 2.88 110.412 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.3 -45.34 63.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 3.6 110.817 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.71 -42.77 81.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.703 -0.68 . . . . 4.09 110.41 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.4 mt -80.59 0.08 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.701 -0.681 . . . . 4.07 110.482 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER 74.61 -47.47 0.63 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.331 0.652 . . . . 4.18 111.008 -179.819 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.703 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.7 t80 48.09 58.86 4.68 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.655 0.74 . . . . 3.27 111.88 178.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.437 ' HB ' ' OD1' ' A' ' 46' ' ' ASN . 5.2 tp -77.52 131.0 72.41 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.272 -0.877 . . . . 3.99 110.156 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 10.8 Cg_exo -71.69 125.35 11.03 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.55 2.166 . . . . 4.1 111.747 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -118.39 -126.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.801 -0.444 . . . . 5.58 109.801 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 55.04 38.68 30.9 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.872 0.368 . . . . 9.64 110.09 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 179.54 130.9 0.09 Allowed 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.95 -0.759 . . . . 5.87 108.95 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.81 -179.43 3.96 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.723 -1.126 . . . . 8.15 111.327 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -121.97 -176.74 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.487 -0.561 . . . . 10.55 109.487 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -88.72 40.28 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.822 -0.436 . . . . 13.52 109.822 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.37 96.75 10.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.121 -0.491 . . . . 12.14 110.939 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.49 -28.44 61.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.957 -0.565 . . . . 14.26 111.132 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.63 80.59 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.795 -0.717 . . . . 16.04 112.899 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' HG2' ' HG3' ' A' ' 60' ' ' GLN . 37.4 tttp -67.04 112.82 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.006 -0.368 . . . . 17.98 110.006 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.444 ' HG3' ' HG2' ' A' ' 59' ' ' LYS . 15.7 mt-30 61.25 26.85 16.64 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.667 0.604 . . . . 19.89 110.224 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.8 m 71.17 -54.36 0.67 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.502 -0.772 . . . . 20.57 111.155 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.697 0.284 . . . . 22.18 110.69 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.7 ttm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.962 0.41 . . . . 10.83 110.68 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.93 107.83 61.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.209 -0.45 . . . . 8.7 110.181 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.79 -157.38 0.06 OUTLIER 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 123.031 2.487 . . . . 4.88 112.116 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.433 HG13 ' CB ' ' B' ' 8' ' ' ASP . 47.8 t -57.13 140.3 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 122.41 1.1 . . . . 3.44 111.413 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.678 HG21 ' OP1' ' C' ' 11' ' ' ' DT' . 0.2 OUTLIER -105.49 151.09 24.7 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 105.909 -1.886 . . . . 3.24 105.909 177.362 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.884 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.5 mt -59.24 -21.64 59.87 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.139 -1.025 . . . . 2.75 110.251 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.629 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -64.3 -37.84 88.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.84 -1.073 . . . . 4.42 109.34 177.065 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.433 ' CB ' HG13 ' B' ' 4' ' ' VAL . 2.3 m-20 -66.44 -42.35 87.8 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.324 -1.307 . . . . 3.77 109.87 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.575 HG12 ' HE2' ' B' ' 42' ' ' MET . 73.0 t -67.86 -44.16 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 115.344 -0.844 . . . . 2.69 108.78 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.466 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.0 -46.19 85.62 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.068 -1.424 . . . . 3.33 111.368 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -63.71 -49.53 72.71 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.264 -0.643 . . . . 5.21 109.264 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.808 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.4 t80 -61.44 -27.28 68.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.874 -1.057 . . . . 3.88 111.19 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.469 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -85.9 -27.15 25.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.436 0.636 . . . . 2.94 109.413 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.15 33.34 10.83 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 114.747 -1.115 . . . . 3.68 111.553 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.622 ' HB ' HG23 ' B' ' 19' ' ' THR . 9.5 m -142.24 151.13 18.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 118.781 -0.628 . . . . 3.67 111.726 -176.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' B' ' 19' ' ' THR . 26.5 p -54.63 160.53 1.79 Allowed 'General case' 0 C--N 1.346 0.456 0 CA-C-O 121.972 0.891 . . . . 4.41 111.495 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.629 ' HB2' ' CE1' ' B' ' 7' ' ' TYR . 69.3 t80 -52.25 -58.41 6.71 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 114.432 -1.258 . . . . 3.82 109.408 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.601 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 1.5 tp-100 -73.81 5.95 3.66 Favored 'General case' 0 N--CA 1.432 -1.338 0 O-C-N 123.902 0.751 . . . . 5.51 111.64 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.622 HG23 ' HB ' ' B' ' 15' ' ' VAL . 19.3 m -71.69 -63.24 1.17 Allowed 'General case' 0 C--N 1.303 -1.452 1 N-CA-C 99.68 -4.193 . . . . 4.01 99.68 169.516 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.796 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.7 OUTLIER -77.3 -32.83 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 N-CA-C 116.42 2.007 . . . . 2.96 116.42 179.241 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.601 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 12.1 t -62.45 -32.6 73.5 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.519 -0.919 . . . . 3.31 108.519 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -68.3 -30.71 69.77 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.055 -1.461 . . . . 5.7 107.055 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 1.023 ' HA ' ' HB1' ' B' ' 27' ' ' ALA . 92.7 t -65.48 -51.17 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.194 0 CA-C-N 114.042 -1.435 . . . . 3.44 108.24 177.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.25 -20.16 24.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 114.845 -1.07 . . . . 3.12 112.381 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.697 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 6.6 m-80 -100.24 18.91 17.57 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.935 -0.478 . . . . 4.07 111.216 -177.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.697 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 0.5 OUTLIER 95.91 81.57 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 124.639 1.212 . . . . 6.22 109.143 177.802 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 1.023 ' HB1' ' HA ' ' B' ' 23' ' ' VAL . . . -79.5 70.33 5.93 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.528 -1.214 . . . . 4.48 111.606 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -78.2 -15.69 58.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.123 -0.49 . . . . 5.9 110.757 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.543 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 19.8 m170 -138.02 89.98 2.44 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.032 -0.531 . . . . 6.89 110.068 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.514 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 11.6 m -151.23 -174.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 115.811 -0.631 . . . . 4.57 110.831 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 6.4 m -107.63 173.13 6.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.217 -0.447 . . . . 4.12 111.013 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.14 -69.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.294 0.85 . . . . 3.55 113.294 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -48.68 -33.16 9.54 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.677 0.621 . . . . 5.39 112.677 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.651 ' O ' HG13 ' B' ' 38' ' ' VAL . 31.4 m -58.64 -54.46 46.78 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 121.079 -0.248 . . . . 3.3 111.011 179.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.496 ' HA ' HG21 ' B' ' 38' ' ' VAL . 25.8 mtm-85 -60.97 -40.41 93.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 4.15 111.174 -177.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -65.64 -33.3 75.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.678 -0.692 . . . . 2.94 111.151 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -80.38 -43.64 20.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.34 -0.391 . . . . 3.51 110.76 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.796 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.5 m -68.59 -46.89 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 2.65 110.673 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.523 ' N ' HG23 ' B' ' 38' ' ' VAL . 19.3 mt-10 -62.53 -37.48 86.23 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.098 -0.704 . . . . 3.0 109.098 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.611 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.73 -53.03 60.58 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.587 -0.894 . . . . 2.67 108.587 177.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.808 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.79 -51.92 52.84 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 113.042 0.756 . . . . 2.68 113.042 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.575 ' HE2' HG12 ' B' ' 9' ' ' VAL . 16.7 ptp -64.4 -32.1 73.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.598 0.237 . . . . 2.74 110.413 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.78 -44.39 66.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.427 -0.352 . . . . 3.43 111.199 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 5.0 mm-40 -66.68 -44.04 82.83 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.35 0.595 . . . . 3.81 110.452 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt -80.38 0.13 34.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.439 -0.8 . . . . 3.86 109.937 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 t30 73.1 -48.62 0.69 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.087 0.955 . . . . 4.39 110.904 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.884 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 2.1 t80 47.34 64.45 1.58 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.703 0.763 . . . . 3.22 110.969 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' B' ' 48' ' ' ILE . 11.2 tp -60.93 115.86 15.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.73 -1.123 . . . . 4.29 112.553 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -84.62 58.81 5.51 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.745 2.297 . . . . 4.15 111.805 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -38.93 83.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.898 -0.592 . . . . 5.63 111.757 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 51' ' ' ARG . 26.5 ttp-105 -86.31 18.93 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.913 0.387 . . . . 8.97 111.102 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.17 -55.85 0.81 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.503 -0.317 . . . . 6.12 110.336 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 65.35 82.37 0.19 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.013 0.821 . . . . 7.92 111.807 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -81.29 -78.54 0.18 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 11.04 109.963 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -137.0 4.68 2.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.969 -0.56 . . . . 12.93 109.867 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 40.9 mt -130.55 137.71 49.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.534 -0.757 . . . . 12.29 109.857 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.22 -28.43 15.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.197 -0.456 . . . . 12.46 110.323 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.21 -103.83 0.71 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.747 -0.661 . . . . 14.22 112.196 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -132.8 151.23 52.05 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.954 -0.387 . . . . 16.96 109.954 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.49 134.65 34.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.305 -0.407 . . . . 18.68 110.898 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.9 t -98.5 115.83 29.4 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.594 -0.521 . . . . 19.62 109.594 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.892 -0.575 . . . . 21.41 110.21 -179.873 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.48 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-N19 108.577 0.972 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 O4'-C1'-N19 109.384 1.98 . . . . 6.38 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.244 1.805 . . . . 6.08 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O3'-P-O5' 100.775 -1.697 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-N19 108.919 1.399 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 109.52 2.15 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-N19 109.623 2.279 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-N19 109.371 1.963 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.431 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O3'-P-O5' 101.287 -1.428 . . . . 6.24 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.431 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-N19 108.818 1.272 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.678 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.422 -1.112 0 O4'-C1'-N19 109.946 2.682 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.414 H2'' ' OP2' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O3'-P-O5' 99.366 -2.439 . . . . 4.84 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.414 ' OP2' H2'' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O3'-P-O5' 99.486 -2.376 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 O3'-P-O5' 100.719 -1.727 . . . . 7.65 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-N19 109.259 1.824 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O3'-P-O5' 100.456 -1.865 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-N19 108.921 1.401 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 N19-C1'-C2' 116.052 1.158 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . 0.464 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 O5'-C5'-C4' 111.441 0.887 . . . . 7.58 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.543 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.421 -1.189 0 O4'-C1'-N19 109.621 2.276 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.514 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C1'-N19 109.748 2.435 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.487 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 P--OP1 1.495 0.616 0 O3'-P-O5' 99.158 -2.548 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-N19 108.691 1.114 . . . . 7.47 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C1'-N19 109.647 2.309 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-N19 109.73 2.412 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 O4'-C1'-N19 109.18 1.725 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.402 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O3'-P-O5' 100.97 -1.595 . . . . 6.48 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . 0.405 ' C8 ' ' H71' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O4'-C1'-N19 108.969 1.462 . . . . 5.24 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . 0.484 " H2'" ' HH ' ' A' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-N19 109.901 2.626 . . . . 4.6 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-N19 109.56 2.2 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O3'-P-O5' 100.283 -1.956 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 O4'-C1'-N19 109.142 1.678 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-N19 109.236 1.795 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-N19 109.261 1.826 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-N19 108.821 1.276 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 107.142 0.948 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.372 0.13 . . . . 8.46 110.835 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -109.21 128.5 25.32 Favored Pre-proline 0 C--O 1.232 0.147 0 CA-C-O 120.529 0.204 . . . . 7.55 110.837 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -84.18 -155.49 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.836 2.358 . . . . 4.58 111.703 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 57.5 t -115.1 144.56 22.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.744 0.783 . . . . 3.82 111.321 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.477 ' N ' HG12 ' A' ' 4' ' ' VAL . 40.9 p -113.85 163.95 14.4 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.761 -1.57 . . . . 3.76 106.761 177.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.623 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.5 mt -59.79 -24.4 64.09 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 119.427 -0.909 . . . . 2.85 110.889 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -65.08 -38.61 91.33 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.35 -0.841 . . . . 4.61 110.465 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.472 ' CB ' HG11 ' A' ' 4' ' ' VAL . 27.8 m-20 -64.86 -45.99 83.74 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 114.107 -1.406 . . . . 4.13 110.245 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.492 HG12 ' HE1' ' A' ' 42' ' ' MET . 94.4 t -68.39 -40.67 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-O 121.504 0.669 . . . . 2.91 109.405 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.77 -48.35 79.91 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.541 -1.209 . . . . 3.39 111.338 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -66.81 -49.66 65.08 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.803 -0.635 . . . . 5.24 109.563 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.803 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 58.6 t80 -61.54 -27.53 68.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.036 -0.983 . . . . 4.13 111.75 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.444 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -83.81 -26.95 29.14 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.693 0.759 . . . . 2.89 109.608 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.67 34.05 9.55 Favored Glycine 0 N--CA 1.437 -1.281 0 CA-C-N 114.576 -1.193 . . . . 3.45 110.768 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 38' ' ' VAL . 4.4 m -138.72 145.52 27.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.379 -0.91 . . . . 3.39 109.867 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 m -55.93 147.52 19.34 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.506 0.669 . . . . 4.52 110.441 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.623 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 76.7 t80 -49.92 -50.54 45.94 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.717 -1.129 . . . . 3.95 111.736 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.76 -25.3 64.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.215 -0.902 . . . . 5.71 111.832 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.491 ' O ' HG21 ' A' ' 23' ' ' VAL . 7.0 m -68.7 -61.38 1.84 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.431 -0.35 . . . . 3.86 110.573 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.568 ' HB ' ' CG1' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -68.89 -29.47 43.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.166 -0.47 . . . . 3.01 111.498 -179.386 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.416 ' HA ' HD13 ' A' ' 6' ' ' LEU . 48.3 t -59.22 -40.96 87.46 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.046 -0.724 . . . . 3.29 109.046 177.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -30.4 67.45 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.379 -0.828 . . . . 4.68 108.82 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.108 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 53.8 t -67.59 -51.03 55.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.807 -1.088 . . . . 3.04 110.983 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.66 -21.55 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.179 -0.918 . . . . 2.72 111.956 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -111.37 -11.51 14.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.316 0.858 . . . . 3.68 113.316 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -161.21 -82.99 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.982 0.42 . . . . 6.64 111.832 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 1.108 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . 64.16 37.89 8.61 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.242 -0.89 . . . . 4.63 111.077 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -5.3 47.86 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.555 -0.748 . . . . 5.4 110.751 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.16 101.65 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.029 -1.1 . . . . 6.16 108.029 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.664 HG22 ' OP2' ' C' ' 3' ' ' ' DA' . 7.7 p -174.8 162.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.794 -0.639 . . . . 4.47 109.549 -177.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 30' ' ' VAL . 46.7 m -75.09 158.86 32.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.242 0.544 . . . . 3.8 111.556 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -63.02 -62.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.213 -0.903 . . . . 3.6 111.832 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -50.67 -32.75 20.12 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.573 0.545 . . . . 4.97 112.394 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.699 ' O ' HG11 ' A' ' 38' ' ' VAL . 9.5 m -64.12 -47.31 80.45 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 116.711 -0.222 . . . . 3.04 111.318 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' O ' HG22 ' A' ' 38' ' ' VAL . 22.4 mtm180 -65.54 -37.84 87.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.377 0.608 . . . . 4.53 109.433 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 29.2 mt-10 -68.37 -30.29 69.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.096 -0.956 . . . . 3.55 110.324 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -76.08 -45.91 31.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 3.16 110.171 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.013 HG23 HG13 ' A' ' 23' ' ' VAL . 3.1 m -62.71 -44.59 99.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 108.791 -0.818 . . . . 2.68 108.791 178.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' N ' HG21 ' A' ' 38' ' ' VAL . 1.5 mt-10 -62.26 -43.22 99.33 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.528 -0.76 . . . . 3.27 110.119 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.09 62.03 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.781 -0.822 . . . . 2.9 108.781 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -53.06 -51.45 61.73 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.235 -0.893 . . . . 2.89 112.779 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.519 ' HE1' ' HB3' ' A' ' 42' ' ' MET . 16.0 ptp -64.53 -31.84 73.23 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.882 -0.327 . . . . 2.88 110.41 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.54 -43.38 69.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.016 0.436 . . . . 3.6 110.934 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.543 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 12.2 mm-40 -69.22 -44.01 72.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.802 -0.635 . . . . 4.09 110.741 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.2 mt -80.94 0.53 34.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.535 -0.757 . . . . 4.07 110.814 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 8.1 t30 74.63 -47.56 0.63 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.402 0.681 . . . . 4.18 110.605 -179.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.622 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 5.6 t80 41.65 77.81 0.05 Allowed 'General case' 0 N--CA 1.466 0.356 0 O-C-N 124.027 0.829 . . . . 3.27 111.76 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.416 ' HA ' HD12 ' A' ' 48' ' ' ILE . 8.9 tp -48.92 107.76 0.83 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 115.116 -0.947 . . . . 3.99 112.064 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -95.75 -174.59 0.29 Allowed 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 123.152 2.568 . . . . 4.1 112.457 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -133.75 -118.64 0.19 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.039 -0.528 . . . . 5.58 109.789 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.47 81.72 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.642 0.258 . . . . 9.64 110.745 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.66 -35.6 81.24 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 116.345 -0.388 . . . . 5.87 110.607 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -172.68 -176.93 1.59 Allowed 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.956 -0.566 . . . . 8.15 110.599 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.497 ' C ' ' H ' ' A' ' 56' ' ' LEU . 2.6 mm-40 -166.61 176.64 7.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.886 -0.783 . . . . 10.55 108.886 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.425 HE21 ' HB2' ' A' ' 55' ' ' GLN . 4.4 mt-30 70.22 -10.15 0.68 Allowed 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.784 0.678 . . . . 13.52 111.021 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' A' ' 54' ' ' GLN . 37.5 tp -74.79 -62.29 1.59 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.027 -0.533 . . . . 12.14 111.241 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.67 -173.08 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 14.26 110.338 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.79 -147.4 18.05 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.351 -0.7 . . . . 16.04 111.351 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -78.76 -15.37 58.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.38 0.609 . . . . 17.98 110.094 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -139.82 172.89 12.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.282 -0.872 . . . . 19.89 109.088 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -25.7 62.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.09 0.471 . . . . 20.57 110.59 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.893 -0.594 . . . . 22.18 109.966 179.674 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.505 0.193 . . . . 10.83 110.56 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.515 ' HG2' ' HB2' ' B' ' 51' ' ' ARG . 43.4 mtmt 65.33 72.75 0.45 Allowed Pre-proline 0 N--CA 1.463 0.221 0 CA-C-N 115.84 -0.618 . . . . 8.7 110.377 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.59 -58.73 0.06 OUTLIER 'Trans proline' 0 CA--C 1.514 -0.511 0 C-N-CA 123.427 2.752 . . . . 4.88 112.798 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.541 HG12 ' N ' ' B' ' 5' ' ' THR . 39.8 t -130.6 144.97 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 CA-C-O 121.953 0.882 . . . . 3.44 111.361 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.541 ' N ' HG12 ' B' ' 4' ' ' VAL . 16.8 p -118.28 159.82 22.7 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 104.951 -2.24 . . . . 3.24 104.951 175.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 1.016 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.5 mt -60.42 -20.58 60.23 Favored 'General case' 0 C--N 1.307 -1.256 0 C-N-CA 119.003 -1.079 . . . . 2.75 109.78 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.638 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -64.17 -36.53 84.35 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.995 -1.002 . . . . 4.42 110.127 177.456 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.412 ' HB2' ' CG1' ' B' ' 4' ' ' VAL . 9.7 m-20 -64.97 -44.69 88.53 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 114.738 -1.119 . . . . 3.77 109.447 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.548 HG13 ' HE2' ' B' ' 42' ' ' MET . 72.9 t -67.84 -41.83 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 CA-C-N 114.985 -1.007 . . . . 2.69 108.9 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.518 ' HA ' HG12 ' B' ' 20' ' ' VAL . . . -57.48 -48.08 80.16 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.027 -1.442 . . . . 3.33 111.665 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.15 -49.14 73.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.63 0.729 . . . . 5.21 109.218 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.778 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 43.2 t80 -60.82 -28.82 69.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.558 -1.201 . . . . 3.88 111.589 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.38 -25.14 27.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.622 0.725 . . . . 2.94 109.337 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.36 31.46 13.79 Favored Glycine 0 CA--C 1.501 -0.798 0 CA-C-N 114.366 -1.288 . . . . 3.68 111.809 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.604 HG22 HG11 ' B' ' 20' ' ' VAL . 6.6 m -139.85 151.8 22.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.784 -0.708 . . . . 3.67 111.578 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 27.2 p -53.21 160.98 0.97 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.399 0.545 . . . . 4.41 110.063 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.662 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 69.8 t80 -52.1 -59.44 4.37 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.074 -0.966 . . . . 3.82 109.689 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.782 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -73.09 13.06 0.45 Allowed 'General case' 0 C--O 1.245 0.858 0 CA-C-N 114.824 -1.08 . . . . 5.51 113.369 178.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.571 HG23 ' HB ' ' B' ' 15' ' ' VAL . 55.2 m -79.07 -61.6 1.96 Allowed 'General case' 0 N--CA 1.398 -3.047 0 N-CA-C 100.695 -3.817 . . . . 4.01 100.695 170.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.922 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -77.05 -33.14 20.09 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 CA-C-N 112.019 -2.355 . . . . 2.96 113.08 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.782 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 66.1 m -63.13 -35.32 79.88 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 120.693 -1.254 . . . . 3.31 109.175 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.53 -31.74 72.65 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.852 -1.166 . . . . 5.7 107.852 177.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.858 HG13 HG22 ' B' ' 38' ' ' VAL . 65.9 t -66.11 -51.63 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 114.013 -1.449 . . . . 3.44 109.135 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.44 ' CG2' ' HE3' ' B' ' 42' ' ' MET . 30.6 t -66.39 -21.49 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.712 -1.131 . . . . 3.12 112.219 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.528 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 0.7 OUTLIER -87.41 -12.33 46.54 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.009 -0.677 . . . . 4.07 111.762 -177.792 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.528 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 11.0 pt20 151.44 -35.63 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.421 1.088 . . . . 6.22 111.196 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.73 ' CB ' ' HA ' ' B' ' 23' ' ' VAL . . . 54.13 57.13 6.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.682 -0.69 . . . . 4.48 112.262 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -17.77 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.159 0.504 . . . . 5.9 110.936 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.683 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 25.9 m170 -136.69 90.49 2.55 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.829 -0.623 . . . . 6.89 110.01 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.678 HG13 ' HB1' ' B' ' 27' ' ' ALA . 16.5 m -151.69 172.9 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 O-C-N 123.198 0.311 . . . . 4.57 111.742 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -106.77 177.66 4.79 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.873 -0.603 . . . . 4.12 110.335 177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -69.21 -68.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.864 0.69 . . . . 3.55 112.864 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -46.7 -39.06 10.8 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.527 0.517 . . . . 5.39 112.229 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.715 ' O ' HG12 ' B' ' 38' ' ' VAL . 7.7 m -57.16 -53.43 58.22 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 111.903 0.334 . . . . 3.3 111.903 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 25.3 mtm180 -60.68 -40.31 91.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.876 0.369 . . . . 4.15 110.717 -178.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 30.3 mt-10 -67.05 -34.7 78.26 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.43 -0.805 . . . . 2.94 111.331 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -77.21 -42.57 36.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.184 -0.462 . . . . 3.51 111.072 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.922 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -68.73 -45.26 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.798 -0.445 . . . . 2.65 109.798 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.551 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.7 OUTLIER -58.99 -39.44 81.81 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.315 -0.624 . . . . 3.0 109.315 177.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.64 -54.98 27.27 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.168 -0.678 . . . . 2.67 109.168 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.778 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.95 -51.03 56.52 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.482 -0.781 . . . . 2.68 112.853 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.548 ' HE2' HG13 ' B' ' 9' ' ' VAL . 16.6 ptp -64.54 -32.15 73.67 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 121.187 -0.205 . . . . 2.74 110.673 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.63 -43.32 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 3.43 110.911 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.45 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -68.21 -43.85 77.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.746 -0.661 . . . . 3.81 110.792 -179.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.5 mt -80.76 0.48 34.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.532 -0.758 . . . . 3.86 110.973 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.513 HD22 HD12 ' B' ' 48' ' ' ILE . 7.2 t30 74.04 -51.07 0.69 Allowed 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.797 0.686 . . . . 4.39 109.855 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 1.016 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 4.5 t80 51.08 85.07 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.177 -0.92 . . . . 3.22 112.167 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.513 HD12 HD22 ' B' ' 46' ' ' ASN . 3.3 tp -86.83 130.09 49.93 Favored Pre-proline 0 N--CA 1.446 -0.642 0 CA-C-N 115.494 -0.776 . . . . 4.29 109.858 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -80.59 55.22 5.58 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.627 2.218 . . . . 4.15 112.525 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -160.98 105.16 1.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.233 0.54 . . . . 5.63 110.423 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.515 ' HB2' ' HG2' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -130.99 93.34 3.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.416 -0.811 . . . . 8.97 109.294 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 5.1 t -110.87 -126.28 0.27 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.066 -0.97 . . . . 6.12 110.015 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.31 179.86 7.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.854 -0.157 . . . . 7.92 110.83 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -146.59 -59.99 0.3 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.829 0.347 . . . . 11.04 110.711 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -139.44 53.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.005 0.431 . . . . 12.93 110.158 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.533 ' HG ' ' H ' ' B' ' 57' ' ' ALA . 9.4 tp 63.23 -154.03 0.33 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.347 -0.842 . . . . 12.29 110.635 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.533 ' H ' ' HG ' ' B' ' 56' ' ' LEU . . . -164.1 176.25 9.47 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.079 -0.341 . . . . 12.46 110.079 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . 0.61 ' HA3' ' OP1' ' D' ' 14' ' ' ' DT' . . . 90.55 -67.73 2.46 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.895 -0.669 . . . . 14.22 112.447 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -80.45 52.06 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.505 0.669 . . . . 16.96 110.226 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -95.61 -4.06 45.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.495 -0.775 . . . . 18.68 110.918 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 25.3 t -156.41 33.29 0.32 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.107 -0.497 . . . . 19.62 109.953 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 29.1 mt . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.663 -0.684 . . . . 21.41 110.441 -179.273 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.528 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O4'-C1'-N19 108.829 1.286 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.404 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-N19 109.371 1.964 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.664 ' OP2' HG22 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-N19 109.147 1.684 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-N19 109.141 1.676 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O3'-P-O5' 101.371 -1.384 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-N19 109.321 1.902 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.016 0 O4'-C1'-N19 109.469 2.086 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O3'-P-O5' 100.873 -1.646 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.414 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O3'-P-O5' 100.634 -1.771 . . . . 6.24 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.456 ' C8 ' ' H73' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O3'-P-O5' 101.756 -1.181 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.456 ' H73' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 O4'-C1'-N19 109.898 2.622 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.439 ' C6 ' ' H71' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O3'-P-O5' 99.378 -2.432 . . . . 4.84 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.439 ' H71' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.42 -0.853 0 O3'-P-O5' 99.99 -2.111 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.228 0 O3'-P-O5' 100.623 -1.777 . . . . 7.65 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.102 0 O3'-P-O5' 100.431 -1.878 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O4'-C1'-N19 109.367 1.959 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-N19 108.899 1.374 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 N19-C1'-C2' 115.808 1.005 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . 0.551 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.606 0 O4'-C1'-N19 108.562 0.953 . . . . 7.58 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.683 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-N19 109.44 2.049 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.633 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O4'-C1'-N19 110.047 2.809 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.481 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.522 -0.632 0 O3'-P-O5' 99.461 -2.389 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 O4'-C1'-N19 108.928 1.41 . . . . 7.47 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C1'-N19 109.363 1.953 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 109.344 1.93 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.404 2.005 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O3'-P-O5' 100.484 -1.851 . . . . 6.48 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-N19 109.122 1.652 . . . . 5.24 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.42 -0.856 0 O4'-C1'-N19 109.843 2.554 . . . . 4.6 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.09 0 O4'-C1'-N19 109.395 1.993 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O3'-P-O5' 100.219 -1.99 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.61 ' OP1' ' HA3' ' B' ' 58' ' ' GLY . . . . . . . . 0 O5'--C5' 1.424 -1.011 0 O3'-P-O5' 100.45 -1.868 . . . . 7.24 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.208 1.76 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-N19 109.256 1.82 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O3'-P-O5' 101.597 -1.265 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C1'-C2' 107.097 0.907 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 110.218 -0.29 . . . . 8.46 110.218 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.601 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 80.8 mttt -57.83 -49.95 90.82 Favored Pre-proline 0 CA--C 1.543 0.708 0 N-CA-C 112.023 0.379 . . . . 7.55 112.023 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.601 ' HD3' ' HB2' ' A' ' 2' ' ' LYS . 52.3 Cg_exo -60.32 136.21 66.73 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 122.123 1.882 . . . . 4.58 112.991 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.628 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 54.3 t -136.53 150.15 27.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.08 -0.963 . . . . 3.82 109.846 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.453 ' N ' HG12 ' A' ' 4' ' ' VAL . 58.2 p -104.79 160.37 15.05 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.402 -1.332 . . . . 3.76 107.402 177.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.707 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 3.3 mt -59.92 -25.64 65.31 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.185 -1.006 . . . . 2.85 111.165 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -65.52 -37.46 86.84 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.99 0.9 . . . . 4.61 110.158 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.537 ' CB ' HG11 ' A' ' 4' ' ' VAL . 36.5 m-20 -65.2 -45.16 85.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.805 -1.543 . . . . 4.13 110.456 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.513 HG11 ' HE2' ' A' ' 42' ' ' MET . 91.7 t -68.78 -41.61 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 N-CA-C 109.112 -0.699 . . . . 2.91 109.112 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.51 ' HA ' HG12 ' A' ' 20' ' ' VAL . . . -57.49 -46.99 83.09 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.356 -1.293 . . . . 3.39 111.63 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -67.71 -48.97 65.01 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.887 -0.597 . . . . 5.24 109.729 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.767 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.8 t80 -61.22 -30.07 70.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.109 -0.951 . . . . 4.13 111.899 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.461 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -82.13 -27.42 32.79 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.757 0.789 . . . . 2.89 109.781 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.55 34.52 9.25 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 114.611 -1.177 . . . . 3.45 110.707 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.672 HG11 HG23 ' A' ' 34' ' ' THR . 4.7 m -138.65 147.22 25.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 114.314 -0.943 . . . . 3.39 110.39 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.5 m -56.16 150.06 14.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.676 0.75 . . . . 4.52 110.801 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.627 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 73.6 t80 -51.74 -50.62 60.25 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.643 -1.162 . . . . 3.95 112.657 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.436 HE22 " H2'" ' C' ' 4' ' ' ' DT' . 0.0 OUTLIER -63.69 -20.48 65.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.962 -0.563 . . . . 5.71 111.65 -178.735 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.0 m -69.07 -62.04 1.54 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.854 0.359 . . . . 3.86 110.361 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.549 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -69.17 -29.05 41.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 3.01 111.289 -179.381 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 t -59.38 -43.97 92.83 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.835 -0.802 . . . . 3.29 108.835 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.532 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -69.19 -27.53 65.59 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.463 -0.789 . . . . 4.68 109.057 179.038 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.131 HG13 HG22 ' A' ' 38' ' ' VAL . 55.5 t -65.92 -48.79 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 114.981 -1.009 . . . . 3.04 109.656 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t -64.04 -21.5 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.494 0.664 . . . . 2.72 110.173 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -95.02 0.19 54.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.843 -0.617 . . . . 3.68 110.404 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 80.23 -54.74 0.36 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.549 1.139 . . . . 6.64 110.031 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.459 ' HB1' ' H ' ' A' ' 28' ' ' SER . . . 60.25 -115.68 0.7 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.704 -0.68 . . . . 4.63 112.624 178.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.459 ' H ' ' HB1' ' A' ' 27' ' ' ALA . 28.4 t 179.93 -20.35 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.148 0.425 . . . . 5.4 112.148 -178.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.545 ' HA ' ' OP2' ' C' ' 2' ' ' ' DG' . 1.6 m-70 -124.95 92.36 3.63 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.569 -0.707 . . . . 6.16 110.886 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.694 HG11 HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -144.52 135.02 20.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.647 -0.706 . . . . 4.47 111.488 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.598 ' HG ' " C3'" ' C' ' 2' ' ' ' DG' . 6.0 m -72.19 169.47 16.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.299 -0.41 . . . . 3.8 111.533 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.1 -68.47 0.42 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.488 -0.778 . . . . 3.6 111.174 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HA ' ' OE2' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -46.56 -49.83 18.2 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.76 0.662 . . . . 4.97 111.954 -179.405 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.675 ' O ' HG11 ' A' ' 38' ' ' VAL . 8.5 m -53.96 -46.03 71.51 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.359 -0.837 . . . . 3.04 112.202 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 18.9 mtm180 -63.65 -37.38 87.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.27 -0.641 . . . . 4.53 109.27 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 22.4 mt-10 -67.79 -36.17 79.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.214 -0.903 . . . . 3.55 109.915 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -71.06 -46.27 62.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.746 -0.661 . . . . 3.16 110.977 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.131 HG22 HG13 ' A' ' 23' ' ' VAL . 3.7 m -65.42 -47.03 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.783 -0.451 . . . . 2.68 109.783 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.511 ' N ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.43 -39.85 94.68 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.313 -0.625 . . . . 3.27 109.313 178.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.2 -57.49 12.24 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 108.132 -1.062 . . . . 2.9 108.132 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.767 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.37 -51.2 47.97 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.783 -0.644 . . . . 2.89 112.648 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.516 ' HE2' ' HB3' ' A' ' 42' ' ' MET . 17.0 ptp -64.99 -32.42 74.13 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.59 -0.444 . . . . 2.88 110.272 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.88 -45.64 60.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.986 0.422 . . . . 3.6 111.015 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 0.4 OUTLIER -66.99 -42.86 84.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.814 -0.63 . . . . 4.09 110.186 -179.514 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.7 mt -81.31 -0.14 39.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 4.07 110.58 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 75.04 -52.47 0.67 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.541 0.737 . . . . 4.18 110.692 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.707 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 4.9 t80 45.14 69.99 0.39 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.694 0.759 . . . . 3.27 111.601 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.094 HG22 ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -86.09 -47.73 0.56 Allowed Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 115.442 -0.799 . . . . 3.99 112.858 -178.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.094 ' HD3' HG22 ' A' ' 48' ' ' ILE . 83.8 Cg_endo -102.6 124.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.379 2.053 . . . . 4.1 113.898 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -80.62 -23.66 39.6 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.799 -0.815 . . . . 5.58 108.799 177.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.8 ttp180 170.83 -43.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.201 -1.363 . . . . 9.64 107.935 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.1 t -175.69 -113.25 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.906 -1.043 . . . . 5.87 109.267 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.729 ' HB3' ' HB2' ' A' ' 56' ' ' LEU . . . -145.15 82.3 1.66 Allowed 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.303 0.573 . . . . 8.15 111.123 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.409 ' HG2' ' HG2' ' A' ' 55' ' ' GLN . 8.4 pt20 -91.22 -15.34 29.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.506 -0.77 . . . . 10.55 110.784 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.409 ' HG2' ' HG2' ' A' ' 54' ' ' GLN . 5.3 pt20 -147.01 22.74 1.22 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.588 -0.733 . . . . 13.52 110.367 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.729 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . 96.7 mt -107.44 106.66 17.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.94 -0.573 . . . . 12.14 110.389 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.42 171.46 7.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 14.26 110.858 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.16 25.58 36.63 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.988 -0.625 . . . . 16.04 112.352 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -127.9 124.26 36.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.876 0.37 . . . . 17.98 110.875 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -98.2 132.06 44.03 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.639 -0.504 . . . . 19.89 109.639 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.4 m -153.21 -65.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.95 0.405 . . . . 20.57 110.334 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 22.18 109.977 179.889 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.889 0.376 . . . . 10.83 110.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -158.05 93.54 2.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.966 -0.561 . . . . 8.7 109.807 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -66.11 106.53 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.747 2.298 . . . . 4.88 113.42 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.522 HG12 ' HB3' ' B' ' 8' ' ' ASP . 53.2 t -69.71 140.92 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 CA-C-N 115.331 -0.85 . . . . 3.44 110.227 177.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.552 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.3 OUTLIER -88.69 146.89 24.79 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 106.914 -1.513 . . . . 3.24 106.914 177.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.753 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.7 mt -59.84 -23.7 63.58 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 118.81 -1.156 . . . . 2.75 109.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -36.4 83.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.578 -1.192 . . . . 4.42 109.297 176.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.552 ' HB2' ' O ' ' B' ' 5' ' ' THR . 0.7 OUTLIER -65.79 -44.1 86.72 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 113.787 -1.552 . . . . 3.77 109.715 -178.245 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.507 HG12 ' HE3' ' B' ' 42' ' ' MET . 84.8 t -68.75 -43.16 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 CA-C-N 115.351 -0.84 . . . . 2.69 108.851 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.481 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.38 -46.88 82.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.23 -1.35 . . . . 3.33 111.413 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.08 -49.63 66.91 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.845 -0.616 . . . . 5.21 109.582 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.856 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 43.9 t80 -60.26 -27.02 66.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.046 -0.979 . . . . 3.88 111.263 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.445 ' HB3' HG23 ' B' ' 15' ' ' VAL . . . -87.77 -27.56 22.25 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.513 0.673 . . . . 2.94 109.52 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.92 34.31 10.1 Favored Glycine 0 CA--C 1.496 -1.103 0 CA-C-N 114.878 -1.056 . . . . 3.68 111.406 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.671 ' HB ' HG22 ' B' ' 19' ' ' THR . 7.0 m -139.67 149.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 114.455 -0.872 . . . . 3.67 110.892 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 2.7 m -48.47 161.73 0.12 Allowed 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.73 0.776 . . . . 4.41 111.04 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.753 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 78.3 t80 -59.78 -65.13 0.73 Allowed 'General case' 0 C--O 1.251 1.146 0 CA-C-O 117.854 -1.07 . . . . 3.82 109.787 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.91 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -64.02 10.54 0.05 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 119.589 -0.844 . . . . 5.51 111.549 171.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.746 HG23 HH21 ' B' ' 22' ' ' ARG . 28.6 m -73.22 -61.15 1.92 Allowed 'General case' 0 N--CA 1.39 -3.433 0 N-CA-C 101.768 -3.419 . . . . 4.01 101.768 170.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.826 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.6 m -76.59 -32.82 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 113.88 -1.509 . . . . 2.96 113.658 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.91 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 41.7 t -61.18 -38.13 85.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.019 0.437 . . . . 3.31 110.654 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.746 HH21 HG23 ' B' ' 19' ' ' THR . 0.0 OUTLIER -65.27 -31.59 72.81 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.213 -1.032 . . . . 5.7 108.213 177.758 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.898 ' HA ' ' HB3' ' B' ' 27' ' ' ALA . 54.9 t -65.51 -51.59 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 CA-C-N 114.038 -1.437 . . . . 3.44 108.155 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -68.58 -20.39 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 114.682 -1.144 . . . . 3.12 112.573 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 5.2 m-80 -102.95 16.12 27.5 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.021 -0.424 . . . . 4.07 112.052 -176.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.516 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 15.8 mm100 88.99 81.66 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.68 0 O-C-N 124.398 1.061 . . . . 6.22 108.401 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.898 ' HB3' ' HA ' ' B' ' 23' ' ' VAL . . . -76.69 -74.89 0.22 Allowed 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.301 -1.318 . . . . 4.48 112.079 -177.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 38.9 m 65.65 -9.15 0.26 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.198 0.599 . . . . 5.9 111.392 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.534 ' H ' ' C ' ' B' ' 27' ' ' ALA . 29.9 m170 -134.55 91.27 2.76 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 108.226 -1.027 . . . . 6.89 108.226 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.549 ' HA ' " H3'" ' D' ' 2' ' ' ' DG' . 14.8 p -175.67 165.61 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 4.57 110.455 -177.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.405 ' N ' HG21 ' B' ' 30' ' ' VAL . 0.3 OUTLIER -81.12 171.77 14.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.224 0.535 . . . . 4.12 112.001 -179.187 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.88 -67.52 0.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.199 -0.91 . . . . 3.55 113.264 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.461 ' HB2' ' HE3' ' B' ' 33' ' ' LYS . 6.7 ptmt -51.29 -29.18 14.01 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.545 0.572 . . . . 5.39 112.545 -178.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.704 ' O ' HG11 ' B' ' 38' ' ' VAL . 87.4 m -62.54 -49.73 74.17 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 120.704 -0.398 . . . . 3.3 110.485 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 49.8 mtm-85 -65.57 -37.68 87.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 4.15 110.206 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.52 -29.75 69.91 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.47 -0.786 . . . . 2.94 110.741 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -82.33 -42.93 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.541 . . . . 3.51 110.812 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.826 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.3 m -68.12 -45.09 83.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.769 -0.456 . . . . 2.65 109.769 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.546 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 4.0 mt-10 -60.69 -42.07 96.42 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.273 -0.64 . . . . 3.0 109.273 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.717 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.78 -53.93 49.25 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.904 -0.776 . . . . 2.67 108.904 177.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.856 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.41 -51.67 52.74 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.107 0.78 . . . . 2.68 113.107 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.586 ' HB2' ' HB3' ' B' ' 47' ' ' TYR . 16.7 ptp -64.45 -33.14 75.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.729 0.299 . . . . 2.74 110.516 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 -42.95 68.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.063 0.459 . . . . 3.43 111.226 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.717 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.7 mm-40 -68.19 -44.08 76.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.806 -0.633 . . . . 3.81 111.112 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 10.7 mt -79.28 -1.48 36.86 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.529 -0.76 . . . . 3.86 110.991 -179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 t30 58.05 45.47 17.79 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.884 0.849 . . . . 4.39 109.986 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.694 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 20.1 t80 -63.09 124.15 20.42 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.48 -1.237 . . . . 3.22 111.017 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.485 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 0.3 OUTLIER -63.11 156.13 69.75 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 114.996 -1.002 . . . . 4.29 110.767 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' B' ' 48' ' ' ILE . 4.8 Cg_endo -47.94 -53.0 7.25 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.397 2.731 . . . . 4.15 113.449 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 62.8 t30 51.26 66.8 1.08 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.531 0.681 . . . . 5.63 110.918 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 51' ' ' ARG . 3.7 mmt85 -144.3 94.31 2.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.687 -0.688 . . . . 8.97 110.204 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 3.8 m -117.79 -135.31 0.34 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 116.256 -0.429 . . . . 6.12 109.911 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 179.16 -179.86 0.4 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.641 0.588 . . . . 7.92 110.481 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -151.05 -164.58 2.04 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.997 -0.742 . . . . 11.04 108.997 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.414 ' HB3' ' HG2' ' A' ' 3' ' ' PRO . 21.3 pt20 -97.24 22.74 8.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.195 0.521 . . . . 12.93 110.486 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 34.1 mt -147.69 -170.88 3.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.518 -0.764 . . . . 12.29 109.49 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.14 -45.31 7.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.851 0.358 . . . . 12.46 110.791 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.66 -151.64 6.03 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.755 -0.736 . . . . 14.22 111.877 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.18 125.35 40.64 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.29 -0.263 . . . . 16.96 110.29 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -68.7 167.72 14.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.412 -0.358 . . . . 18.68 110.192 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.452 ' HB3' " H4'" ' D' ' 8' ' ' ' DA' . 3.8 m -137.53 38.38 2.45 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.745 -0.465 . . . . 19.62 109.745 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 16.5 tp . . . . . 0 C--O 1.251 1.149 0 CA-C-O 117.645 -1.169 . . . . 21.41 109.613 -179.161 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.517 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O4'-C1'-N19 108.802 1.253 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.598 " C3'" ' HG ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O4'-C1'-N19 109.265 1.832 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.421 ' OP2' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 P-O5'-C5' 118.55 -1.469 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.436 " H2'" HE22 ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-N19 109.166 1.708 . . . . 5.97 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-N19 108.983 1.478 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-N19 109.506 2.132 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-N19 109.561 2.202 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.005 0 O4'-C1'-N19 109.189 1.737 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.407 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O3'-P-O5' 100.842 -1.662 . . . . 6.24 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.407 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 108.941 1.426 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.514 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-N19 109.922 2.653 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O3'-P-O5' 99.739 -2.243 . . . . 4.84 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.427 ' C6 ' ' H73' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O3'-P-O5' 99.891 -2.163 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.427 ' H73' ' C6 ' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.062 0 O3'-P-O5' 100.548 -1.817 . . . . 7.65 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.094 0 O4'-C1'-N19 109.165 1.707 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O3'-P-O5' 100.647 -1.765 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O3'-P-O5' 101.432 -1.352 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 N19-C1'-C2' 115.861 1.038 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 O4'-C1'-N19 108.926 1.408 . . . . 7.58 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.549 " H3'" ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 O4'-C1'-N19 109.45 2.063 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.494 " H2'" HH12 ' B' ' 22' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 O4'-C1'-N19 109.731 2.414 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.493 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.523 -0.491 0 O3'-P-O5' 99.17 -2.542 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . 0.415 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-N19 108.716 1.145 . . . . 7.47 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O4'-C1'-N19 109.606 2.257 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-N19 109.514 2.142 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.452 " H4'" ' HB3' ' B' ' 61' ' ' SER . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-N19 109.302 1.877 . . . . 7.77 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O3'-P-O5' 100.528 -1.827 . . . . 6.48 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-N19 108.964 1.454 . . . . 5.24 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . 0.401 " H2'" ' HH ' ' A' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 109.871 2.589 . . . . 4.6 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-N19 109.463 2.079 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O3'-P-O5' 100.183 -2.009 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O3'-P-O5' 100.667 -1.754 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-N19 109.165 1.706 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C1'-N19 109.179 1.723 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O3'-P-O5' 101.597 -1.265 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 N19-C1'-C2' 115.784 0.99 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.471 ' H2 ' ' C ' ' B' ' 62' ' ' LEU . 4.3 mpp? . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.533 0.206 . . . . 8.46 110.686 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 24.9 tptt -166.03 131.82 1.94 Allowed Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 110.016 -0.364 . . . . 7.55 110.016 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 20.2 Cg_exo -67.25 102.87 0.71 Allowed 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.846 2.364 . . . . 4.58 113.009 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.648 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 73.3 t -68.72 143.24 15.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.907 -1.042 . . . . 3.82 110.586 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.454 ' O ' HG13 ' A' ' 4' ' ' VAL . 75.5 p -102.6 160.91 14.15 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.872 -1.529 . . . . 3.76 106.872 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.827 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 3.6 mt -59.82 -24.52 64.24 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.464 -0.894 . . . . 2.85 111.127 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.94 -37.39 87.48 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.973 0.892 . . . . 4.61 110.173 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.532 ' CB ' HG12 ' A' ' 4' ' ' VAL . 26.2 m-20 -65.13 -46.04 82.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.792 -1.549 . . . . 4.13 110.058 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.485 HG11 ' CB ' ' A' ' 41' ' ' ALA . 93.0 t -69.15 -41.79 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-O 121.682 0.753 . . . . 2.91 109.501 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' HA ' HG13 ' A' ' 20' ' ' VAL . . . -57.55 -46.69 83.6 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.536 -1.211 . . . . 3.39 111.622 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.45 -49.36 63.99 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.392 0.615 . . . . 5.24 109.812 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.851 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 48.1 t80 -61.4 -27.38 68.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.764 -1.107 . . . . 4.13 111.739 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -85.07 -28.0 25.93 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.673 0.749 . . . . 2.89 110.026 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.77 35.71 8.24 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 114.932 -1.031 . . . . 3.45 110.808 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.472 HG22 HG11 ' A' ' 38' ' ' VAL . 3.8 m -138.71 146.44 26.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.332 -0.934 . . . . 3.39 109.674 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.8 p -57.0 145.32 30.8 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.888 -0.725 . . . . 4.52 109.994 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.616 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 67.2 t80 -45.84 -50.5 14.18 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.13 -0.941 . . . . 3.95 111.978 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -22.37 65.45 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.846 -1.07 . . . . 5.71 112.41 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.546 ' O ' HG21 ' A' ' 23' ' ' VAL . 89.8 m -69.39 -61.24 1.87 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.977 0.418 . . . . 3.86 110.109 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.522 HG13 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -68.98 -28.95 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.786 -0.643 . . . . 3.01 111.192 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.402 ' HA ' HD11 ' A' ' 6' ' ' LEU . 33.2 t -59.59 -39.79 85.31 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.94 -0.763 . . . . 3.29 108.94 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -31.44 68.69 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.687 -0.857 . . . . 4.68 108.687 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.108 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 70.3 t -66.59 -49.58 73.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.685 -1.143 . . . . 3.04 110.197 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -65.43 -21.85 29.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.096 -0.957 . . . . 2.72 112.409 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.579 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 25.5 m-80 -110.18 -11.16 14.61 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.493 0.923 . . . . 3.68 113.493 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 4.9 mm100 -165.66 -75.44 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.873 0.368 . . . . 6.64 111.861 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 1.108 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . 61.98 41.45 11.21 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.229 -0.896 . . . . 4.63 110.772 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -11.34 60.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.399 -0.819 . . . . 5.4 111.614 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.6 101.38 1.83 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.619 -0.511 . . . . 6.16 109.619 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.449 HG11 ' OP2' ' C' ' 3' ' ' ' DA' . 0.0 OUTLIER -156.7 156.62 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.02 -0.537 . . . . 4.47 110.311 -179.307 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.477 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 46.1 m -70.52 166.61 20.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.955 0.407 . . . . 3.8 111.175 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -64.86 -68.28 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.678 -0.692 . . . . 3.6 112.076 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 37.4 pttt -53.4 -28.93 32.27 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.381 0.511 . . . . 4.97 112.381 -178.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.646 ' O ' HG13 ' A' ' 38' ' ' VAL . 6.5 m -60.54 -48.59 81.08 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 121.065 -0.254 . . . . 3.04 111.025 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HA ' HG22 ' A' ' 38' ' ' VAL . 23.8 mtm180 -66.97 -34.38 77.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.299 -0.63 . . . . 4.53 109.299 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 31.1 mt-10 -66.3 -34.56 78.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.643 -0.708 . . . . 3.55 110.104 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 5.5 mtpp -77.03 -45.28 27.73 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.945 -0.57 . . . . 3.16 110.627 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.01 HG23 HG11 ' A' ' 23' ' ' VAL . 3.8 m -63.15 -46.01 97.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.183 -0.673 . . . . 2.68 109.183 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.473 ' N ' HG21 ' A' ' 38' ' ' VAL . 27.1 mt-10 -62.11 -45.42 93.55 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.817 -0.629 . . . . 3.27 110.015 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.695 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -59.27 -54.41 47.16 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 108.734 -0.839 . . . . 2.9 108.734 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.851 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -52.23 -51.77 56.33 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 112.995 0.739 . . . . 2.89 112.995 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.473 ' HE1' ' HB3' ' A' ' 42' ' ' MET . 18.8 ptp -65.3 -32.8 74.64 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.749 -0.38 . . . . 2.88 110.329 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.62 -43.32 69.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 3.6 111.398 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.695 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 3.9 mm-40 -69.13 -44.48 72.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.422 0.63 . . . . 4.09 110.578 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.3 mt -81.13 1.07 33.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.472 -0.786 . . . . 4.07 110.918 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 24.9 t30 75.94 -57.51 0.57 Allowed 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.761 0.663 . . . . 4.18 109.932 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.827 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 8.0 t80 52.84 100.74 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.983 0.802 . . . . 3.27 112.527 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.617 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 2.7 pp -56.26 159.62 5.93 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.383 -0.826 . . . . 3.99 111.984 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.617 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 41.1 Cg_endo -67.51 97.56 0.45 Allowed 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 123.008 2.472 . . . . 4.1 113.183 -178.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -12.56 60.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.909 -0.587 . . . . 5.58 110.107 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.511 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 61.3 ttp85 -160.37 -54.17 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.601 -0.727 . . . . 9.64 109.65 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.41 118.78 0.66 Allowed 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.488 -0.93 . . . . 5.87 108.488 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.14 53.21 0.49 Allowed 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.949 -1.023 . . . . 8.15 111.669 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -76.43 -35.87 58.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.634 -0.712 . . . . 10.55 110.015 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -77.74 -20.54 53.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.469 -0.787 . . . . 13.52 110.277 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 56' ' ' LEU . 2.7 mm? -88.39 -64.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.743 -0.662 . . . . 12.14 110.52 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 55.68 -95.42 0.05 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.501 -0.772 . . . . 14.26 111.912 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.4 44.48 0.5 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.237 -0.745 . . . . 16.04 111.237 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -72.24 -21.77 61.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.701 0.286 . . . . 17.98 111.469 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -85.65 -61.83 1.67 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.197 0.523 . . . . 19.89 109.924 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.7 m -156.79 171.98 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.636 -0.711 . . . . 20.57 109.187 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 110.142 -0.318 . . . . 22.18 110.142 179.356 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 C--O 1.233 0.207 0 N-CA-C 109.833 -0.432 . . . . 10.83 109.833 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.498 ' HZ2' ' CG ' ' B' ' 8' ' ' ASP . 2.6 ttpt 67.97 109.55 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.313 0 CA-C-N 114.782 -1.099 . . . . 8.7 111.406 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.11 138.92 71.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.674 2.25 . . . . 4.88 111.807 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.679 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 59.8 t -71.79 142.89 14.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 122.279 1.038 . . . . 3.44 112.243 -178.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.441 ' O ' HG12 ' B' ' 4' ' ' VAL . 17.2 p -108.57 158.98 17.08 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 105.995 -1.854 . . . . 3.24 105.995 176.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.797 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 0.8 OUTLIER -61.07 -21.0 63.24 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 118.951 -1.099 . . . . 2.75 108.77 177.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -41.38 99.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 113.555 -1.657 . . . . 4.42 110.297 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.498 ' CG ' ' HZ2' ' B' ' 2' ' ' LYS . 22.6 m-20 -65.91 -42.94 89.56 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 114.042 -1.435 . . . . 3.77 110.106 -178.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.511 HG13 ' HE1' ' B' ' 42' ' ' MET . 74.6 t -67.62 -41.25 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 115.085 -0.961 . . . . 2.69 109.33 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' B' ' 17' ' ' TYR . . . -61.25 -47.51 85.72 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.29 -1.323 . . . . 3.33 111.049 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.21 -49.44 74.21 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.513 -0.767 . . . . 5.21 109.332 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.804 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 51.2 t80 -61.68 -28.91 69.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.934 -1.03 . . . . 3.88 111.384 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.462 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -83.05 -25.86 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.582 0.706 . . . . 2.94 109.444 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.51 32.17 14.22 Favored Glycine 0 CA--C 1.503 -0.711 0 CA-C-N 114.565 -1.198 . . . . 3.68 111.164 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.771 ' HB ' HG22 ' B' ' 19' ' ' THR . 15.9 m -140.29 151.91 21.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 114.572 -0.814 . . . . 3.67 111.331 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.49 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.2 m -49.76 158.62 0.46 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.957 0.884 . . . . 4.41 110.719 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.797 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 65.6 t80 -56.18 -58.21 8.92 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 114.971 -1.013 . . . . 3.82 109.856 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.853 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.16 7.06 2.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.803 -1.089 . . . . 5.51 112.718 179.418 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.771 HG22 ' HB ' ' B' ' 15' ' ' VAL . 37.9 m -72.2 -56.92 4.73 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 101.138 -3.653 . . . . 4.01 101.138 173.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.778 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -76.95 -29.73 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 CA-C-N 112.711 -2.041 . . . . 2.96 113.063 176.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.853 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 30.9 m -59.88 -30.97 69.36 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.615 -0.678 . . . . 3.31 109.306 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.709 ' O ' ' HB3' ' B' ' 27' ' ' ALA . 62.2 mtt180 -64.62 -40.28 95.21 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 106.766 -1.568 . . . . 5.7 106.766 176.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.75 HG12 HG21 ' B' ' 38' ' ' VAL . 51.3 t -65.58 -51.08 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 113.399 -1.728 . . . . 3.44 110.494 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -66.25 -21.36 28.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.351 -0.841 . . . . 3.12 112.014 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' B' ' 27' ' ' ALA . 3.6 m-80 -101.78 3.96 39.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 120.177 -0.609 . . . . 4.07 109.375 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 79.71 -39.65 0.2 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.746 -1.115 . . . . 6.22 108.593 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' B' ' 22' ' ' ARG . . . 56.33 -161.64 0.19 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.128 -1.396 . . . . 4.48 112.487 177.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -148.72 4.52 0.67 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.741 -0.663 . . . . 5.9 110.684 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.522 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 7.0 m170 -153.56 93.84 1.73 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.468 -0.568 . . . . 6.89 109.468 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.636 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 13.5 m -147.39 178.33 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.538 0.209 . . . . 4.57 111.451 -178.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -115.72 173.23 6.65 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.201 -0.454 . . . . 4.12 111.371 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.58 -68.92 0.42 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.59 0.959 . . . . 3.55 113.59 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.572 ' O ' ' HG3' ' B' ' 36' ' ' GLU . 0.4 OUTLIER -53.46 -28.62 31.39 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.713 0.635 . . . . 5.39 112.713 -178.015 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.681 ' O ' HG11 ' B' ' 38' ' ' VAL . 30.4 m -58.48 -43.94 89.16 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 120.676 -0.41 . . . . 3.3 110.816 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 22.0 mtt180 -63.73 -44.41 93.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.002 -0.545 . . . . 4.15 111.685 -177.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -68.97 -32.71 72.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.548 0.213 . . . . 2.94 111.573 -178.513 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -70.44 -47.38 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.999 0.428 . . . . 3.51 110.26 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.778 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -69.15 -42.83 81.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.763 -0.653 . . . . 2.65 110.02 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.9 OUTLIER -59.63 -40.36 87.33 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.266 -0.642 . . . . 3.0 109.266 177.697 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.56 -51.75 67.26 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.891 -0.781 . . . . 2.67 108.891 177.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.804 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -54.2 -51.71 63.55 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.392 -0.822 . . . . 2.68 112.963 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.52 ' HE1' ' HB3' ' B' ' 42' ' ' MET . 15.5 ptp -63.92 -31.57 72.8 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.115 -0.234 . . . . 2.74 110.5 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.05 -43.56 67.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.923 0.392 . . . . 3.43 111.248 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.493 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 4.5 mm-40 -68.28 -44.54 75.3 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.371 0.605 . . . . 3.81 110.833 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt -80.98 -0.32 38.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.413 -0.812 . . . . 3.86 110.781 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 40.4 t30 72.68 -48.55 0.69 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.403 0.681 . . . . 4.39 110.352 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.72 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 1.5 t80 59.86 89.41 0.07 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.656 0.741 . . . . 3.22 111.872 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.434 ' HA ' ' HD3' ' B' ' 49' ' ' PRO . 1.0 OUTLIER -123.04 116.24 28.81 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 115.262 -0.881 . . . . 4.29 109.86 179.293 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 48' ' ' ILE . 61.0 Cg_endo -100.65 97.14 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.457 2.772 . . . . 4.15 112.767 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -173.53 118.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.117 0.484 . . . . 5.63 110.098 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -91.69 12.14 22.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.592 -0.731 . . . . 8.97 111.697 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.511 ' HB3' ' O ' ' A' ' 51' ' ' ARG . 50.0 t -168.44 -92.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.51 -0.076 . . . . 6.12 111.095 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.26 -78.36 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 121.014 -0.275 . . . . 7.92 111.546 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -167.25 -99.54 0.01 OUTLIER 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.986 0.422 . . . . 11.04 110.682 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.455 HE22 ' HB2' ' B' ' 60' ' ' GLN . 1.0 OUTLIER -146.42 18.95 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.359 -0.382 . . . . 12.93 110.704 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' B' ' 56' ' ' LEU . 3.2 mm? 57.38 -99.3 0.1 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.64 -0.709 . . . . 12.29 112.073 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -120.62 28.12 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.975 0.417 . . . . 12.46 111.139 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.86 172.93 35.99 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.778 -0.725 . . . . 14.22 112.102 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -134.31 93.72 3.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.557 -0.534 . . . . 16.96 109.557 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.455 ' HB2' HE22 ' B' ' 55' ' ' GLN . 3.5 mt-30 -104.07 -176.58 3.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.218 0.532 . . . . 18.68 111.603 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.3 m -153.43 -162.96 1.56 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.549 -0.75 . . . . 19.62 109.534 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.471 ' C ' ' H2 ' ' A' ' 1' ' ' MET . 63.5 mt . . . . . 0 C--O 1.251 1.182 0 CA-C-O 119.046 -0.502 . . . . 21.41 110.127 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.537 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 O4'-C1'-N19 108.528 0.91 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.448 " C3'" ' HG ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O4'-C1'-N19 109.379 1.974 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.449 ' OP2' HG11 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C1'-N19 109.115 1.644 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O3'-P-O5' 100.192 -2.004 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-N19 108.823 1.279 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-N19 109.507 2.134 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-N19 109.58 2.225 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-N19 109.196 1.745 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 O3'-P-O5' 100.71 -1.732 . . . . 6.24 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-N19 108.823 1.279 . . . . 5.2 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.494 " H3'" ' OH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-N19 110.076 2.845 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-N19 109.555 2.193 . . . . 4.84 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.459 ' C6 ' ' H73' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O3'-P-O5' 100.307 -1.944 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.459 ' H73' ' C6 ' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-N19 109.233 1.791 . . . . 7.65 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.033 0 O4'-C1'-N19 109.208 1.761 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-N19 109.372 1.965 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 O3'-P-O5' 101.58 -1.274 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 N19-C1'-C2' 115.755 0.972 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . 0.438 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.477 0 O5'-C5'-C4' 111.365 0.832 . . . . 7.58 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.522 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.422 -1.112 0 O4'-C1'-N19 109.658 2.323 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.636 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 O4'-C1'-N19 109.456 2.07 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.471 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.522 -0.639 0 O3'-P-O5' 99.943 -2.135 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . 0.4 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-N19 108.966 1.458 . . . . 7.47 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O4'-C1'-N19 109.499 2.123 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C1'-N19 109.381 1.976 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C1'-N19 109.304 1.88 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O3'-P-O5' 100.542 -1.82 . . . . 6.48 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . 0.413 ' C8 ' ' H71' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C1'-N19 108.938 1.422 . . . . 5.24 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . 0.413 ' H71' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-N19 109.806 2.508 . . . . 4.6 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 O4'-C1'-N19 109.537 2.171 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.42 -0.876 0 O3'-P-O5' 99.76 -2.232 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O3'-P-O5' 100.775 -1.697 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O4'-C1'-N19 109.256 1.82 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 109.225 1.782 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O3'-P-O5' 101.452 -1.341 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 N19-C1'-C2' 115.729 0.956 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mmm . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.666 -0.494 . . . . 8.46 109.666 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 1.9 tppp? -167.03 120.37 0.8 Allowed Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 122.984 0.177 . . . . 7.55 110.802 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 13.8 Cg_exo -70.22 -179.9 3.46 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.975 2.45 . . . . 4.58 112.038 179.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.504 HG13 ' HB2' ' A' ' 8' ' ' ASP . 43.4 t -108.61 143.4 19.0 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 CA-C-O 122.19 0.995 . . . . 3.82 111.716 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.47 ' N ' HG11 ' A' ' 4' ' ' VAL . 46.6 p -118.05 163.88 15.94 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 105.94 -1.874 . . . . 3.76 105.94 176.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.726 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 1.7 mt -59.34 -23.05 62.17 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 119.226 -0.989 . . . . 2.85 110.833 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -65.18 -37.65 88.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.336 -0.847 . . . . 4.61 110.596 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.504 ' HB2' HG13 ' A' ' 4' ' ' VAL . 18.9 m-20 -65.36 -45.43 84.17 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.712 -1.131 . . . . 4.13 110.132 -178.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.507 HG11 ' HE1' ' A' ' 42' ' ' MET . 86.2 t -67.87 -40.86 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.412 -0.813 . . . . 2.91 109.025 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.492 ' HA ' HG13 ' A' ' 20' ' ' VAL . . . -57.82 -47.54 82.33 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.454 -1.248 . . . . 3.39 111.164 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -50.17 65.46 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.719 -0.673 . . . . 5.24 109.806 -179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.845 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.2 t80 -61.99 -27.99 69.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.007 -0.997 . . . . 4.13 111.653 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' A' ' 15' ' ' VAL . . . -83.1 -27.21 30.35 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.556 0.693 . . . . 2.89 109.189 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.04 33.39 9.68 Favored Glycine 0 N--CA 1.44 -1.092 0 CA-C-N 114.684 -1.144 . . . . 3.45 111.125 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 38' ' ' VAL . 6.6 m -139.08 145.93 26.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.414 -0.893 . . . . 3.39 110.461 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.5 m -57.39 154.54 10.61 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 122.033 0.921 . . . . 4.52 110.704 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.673 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 88.5 t80 -53.35 -51.45 62.41 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 114.099 -1.41 . . . . 3.95 112.898 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.526 HE22 " H2'" ' C' ' 4' ' ' ' DT' . 0.0 OUTLIER -64.25 -20.03 65.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.856 -0.611 . . . . 5.71 111.303 -178.492 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.586 ' O ' HG21 ' A' ' 23' ' ' VAL . 9.3 m -68.55 -62.42 1.4 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.9 -0.407 . . . . 3.86 109.9 177.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.542 ' CG1' HG23 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -69.46 -29.41 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 3.01 112.149 -179.073 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -57.85 -44.37 86.48 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.671 -0.492 . . . . 3.29 109.671 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.465 HH11 HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -70.63 -27.79 64.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.055 -0.72 . . . . 4.68 109.055 179.407 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.102 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.3 t -67.49 -50.18 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-N 114.65 -1.159 . . . . 3.04 110.965 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG11 ' ND2' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -63.71 -17.85 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.491 -0.777 . . . . 2.72 111.208 -179.578 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 13.8 m-80 -103.31 -11.17 18.12 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.958 0.725 . . . . 3.68 112.958 -178.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 3.8 mt-30 176.87 -63.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.788 0.435 . . . . 6.64 111.965 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 1.102 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 63.73 46.24 4.14 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.599 -0.728 . . . . 4.63 111.349 -178.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.2 2.66 23.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 5.4 111.455 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.56 85.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.733 0.301 . . . . 6.16 110.362 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG13 HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -162.14 164.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.718 -0.845 . . . . 4.47 108.718 179.774 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.443 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 68.4 m -73.12 156.51 38.59 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.584 -0.447 . . . . 3.8 110.425 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.13 -60.51 3.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 3.6 111.386 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.584 ' HZ3' ' HB3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -54.72 -34.71 62.82 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.184 -0.462 . . . . 4.97 112.029 -179.653 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.704 ' O ' HG11 ' A' ' 38' ' ' VAL . 12.1 m -55.69 -49.49 72.83 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 121.181 -0.207 . . . . 3.04 111.498 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 35' ' ' ARG . 31.2 mtm180 -63.28 -35.29 79.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.342 0.591 . . . . 4.53 109.889 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 57.1 mt-10 -67.43 -40.41 85.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.157 -0.928 . . . . 3.55 111.605 -178.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -77.77 -37.78 48.21 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 120.522 -0.471 . . . . 3.16 111.492 -178.584 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.034 HG23 HG11 ' A' ' 23' ' ' VAL . 3.5 m -62.7 -46.24 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 108.529 -0.915 . . . . 2.68 108.529 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.505 ' N ' HG21 ' A' ' 38' ' ' VAL . 5.4 mt-10 -61.41 -42.38 98.64 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.517 -0.765 . . . . 3.27 109.616 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.735 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -61.34 -54.81 39.07 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.107 -0.701 . . . . 2.9 109.107 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.845 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.07 -51.4 53.62 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 113.327 0.862 . . . . 2.89 113.327 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.507 ' HE1' HG11 ' A' ' 9' ' ' VAL . 17.8 ptp -64.22 -32.68 74.35 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.855 -0.338 . . . . 2.88 110.352 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.42 -44.24 65.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.383 . . . . 3.6 111.132 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.735 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 3.9 mm-40 -69.14 -44.65 71.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.878 -0.601 . . . . 4.09 111.102 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.4 mt -80.76 -0.35 38.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.781 -0.645 . . . . 4.07 110.896 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.48 ' ND2' HD12 ' A' ' 48' ' ' ILE . 42.5 t30 74.38 -42.2 0.5 Allowed 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.81 0.694 . . . . 4.18 110.119 -179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.726 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.2 t80 61.77 79.29 0.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.065 -0.97 . . . . 3.27 112.24 178.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.48 HD12 ' ND2' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -114.05 106.2 53.49 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 106.984 -1.487 . . . . 3.99 106.984 176.812 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.48 -64.24 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.507 2.805 . . . . 4.1 114.195 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.7 t30 58.02 44.76 18.99 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.673 0.749 . . . . 5.58 109.877 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -28.6 69.87 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.674 -0.694 . . . . 9.64 110.297 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 p -92.08 -105.19 0.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.801 -0.636 . . . . 5.87 110.213 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -164.99 74.84 0.24 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.343 0.592 . . . . 8.15 109.861 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -83.24 -19.93 35.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.478 -0.783 . . . . 10.55 111.09 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -171.57 -38.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 13.52 110.606 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 56' ' ' LEU . 1.6 mm? -115.05 143.55 45.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 12.14 110.108 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.3 -55.07 4.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.825 0.345 . . . . 14.26 110.286 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.41 146.96 48.22 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.839 -0.619 . . . . 16.04 112.832 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -131.36 178.19 6.91 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.404 -0.591 . . . . 17.98 109.404 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -66.72 102.18 0.9 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.105 0.478 . . . . 19.89 110.553 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.06 59.77 5.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.146 -0.479 . . . . 20.57 110.387 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 N--CA 1.464 0.242 0 CA-C-N 115.55 -0.75 . . . . 22.18 111.105 -179.779 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.728 0.299 . . . . 10.83 110.941 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.46 127.25 18.66 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 121.024 0.44 . . . . 8.7 111.499 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.46 -92.85 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.616 2.211 . . . . 4.88 110.875 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.5 HG11 ' HB2' ' B' ' 8' ' ' ASP . 46.5 t -124.24 138.16 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 CA-C-O 122.242 1.02 . . . . 3.44 111.062 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.562 HG21 ' OP1' ' C' ' 11' ' ' ' DT' . 0.1 OUTLIER -108.91 153.87 22.94 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 105.335 -2.098 . . . . 3.24 105.335 176.709 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.747 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.4 mt -60.14 -21.0 61.08 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 118.887 -1.125 . . . . 2.75 111.001 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -35.02 79.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.298 -0.864 . . . . 4.42 109.447 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.5 ' HB2' HG11 ' B' ' 4' ' ' VAL . 23.8 m-20 -65.67 -44.8 85.16 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 114.061 -1.427 . . . . 3.77 109.878 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.537 HG13 ' HB3' ' B' ' 42' ' ' MET . 74.5 t -67.39 -42.6 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.157 -0.929 . . . . 2.69 108.717 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.517 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -58.72 -47.04 85.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.782 -1.554 . . . . 3.33 111.432 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -49.34 71.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.722 -0.672 . . . . 5.21 109.304 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.801 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 40.2 t80 -59.82 -28.99 67.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.56 -0.745 . . . . 3.88 111.43 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.499 ' HB3' HG21 ' B' ' 15' ' ' VAL . . . -85.4 -26.1 26.62 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.695 0.759 . . . . 2.94 109.527 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.35 30.97 14.79 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 114.313 -1.312 . . . . 3.68 111.599 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.646 ' HB ' ' CB ' ' B' ' 19' ' ' THR . 9.2 m -140.01 153.54 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.094 -0.553 . . . . 3.67 112.475 -176.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.1 m -49.92 165.09 0.09 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 122.245 1.021 . . . . 4.41 112.166 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.747 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 54.8 t80 -61.14 -59.24 5.65 Favored 'General case' 0 C--O 1.159 -3.682 0 CA-C-N 115.022 -0.99 . . . . 3.82 109.207 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.17 16.5 0.17 Allowed 'General case' 0 C--N 1.291 -1.963 0 C-N-CA 126.421 1.888 . . . . 5.51 108.601 171.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.646 ' CB ' ' HB ' ' B' ' 15' ' ' VAL . 32.2 m -82.1 -64.69 1.13 Allowed 'General case' 0 N--CA 1.414 -2.237 1 N-CA-C 98.983 -4.451 . . . . 4.01 98.983 165.534 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.825 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.5 OUTLIER -76.4 -36.2 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 C-N-CA 127.538 2.335 . . . . 2.96 116.715 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.9 p -62.48 -29.27 70.41 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.413 -0.804 . . . . 3.31 109.959 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.491 ' HD3' ' CG1' ' B' ' 30' ' ' VAL . 0.0 OUTLIER -69.62 -32.01 70.47 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 106.658 -1.608 . . . . 5.7 106.658 176.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 1.067 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 97.6 t -66.33 -51.07 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 CA-C-N 113.846 -1.525 . . . . 3.44 108.988 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -65.23 -20.88 28.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.081 -0.963 . . . . 3.12 111.762 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -95.35 -10.3 30.49 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.825 -0.75 . . . . 4.07 112.298 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' B' ' 27' ' ' ALA . 3.2 pt20 171.19 -49.49 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 122.738 0.415 . . . . 6.22 111.049 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 1.067 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 56.21 27.61 11.95 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.977 0.911 . . . . 4.48 112.443 -178.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -8.96 58.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.159 0.504 . . . . 5.9 111.044 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.525 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 92.0 m-70 -129.59 79.11 1.89 Allowed 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.14 -0.689 . . . . 6.89 109.14 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.491 ' CG1' ' HD3' ' B' ' 22' ' ' ARG . 14.3 m -149.95 -177.66 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 CA-C-O 121.657 0.742 . . . . 4.57 112.434 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.4 m -109.83 169.78 8.5 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.562 -1.199 . . . . 4.12 110.104 177.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.84 -72.51 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.448 0.907 . . . . 3.55 113.448 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.48 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 5.5 ptpt -55.64 -29.33 59.04 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.218 0.821 . . . . 5.39 113.218 -177.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.635 ' O ' HG13 ' B' ' 38' ' ' VAL . 25.1 m -61.74 -44.14 97.49 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.626 -0.43 . . . . 3.3 111.117 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.62 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 19.3 mtm180 -67.24 -35.38 79.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.988 0.423 . . . . 4.15 110.236 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -67.77 -38.87 84.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.597 -0.728 . . . . 2.94 111.109 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -71.8 -45.62 60.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.117 -0.492 . . . . 3.51 111.056 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.825 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.4 m -67.07 -46.5 84.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.536 -0.302 . . . . 2.65 110.199 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.62 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.5 tt0 -59.99 -41.75 92.71 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.046 -0.724 . . . . 3.0 109.046 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.698 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.71 -53.98 46.14 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.147 -0.686 . . . . 2.67 109.147 178.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.801 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.6 -51.82 52.51 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.155 0.798 . . . . 2.68 113.155 -179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.537 ' HB3' HG13 ' B' ' 9' ' ' VAL . 16.6 ptp -64.96 -32.48 74.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.767 0.318 . . . . 2.74 110.396 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.43 -42.69 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 3.43 111.217 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.698 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.2 mm-40 -69.24 -44.63 71.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.869 -0.605 . . . . 3.81 110.737 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.1 mt -81.29 1.39 32.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.54 -0.755 . . . . 3.86 111.053 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 10.7 t30 73.99 -53.88 0.68 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.641 0.588 . . . . 4.39 109.899 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.71 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 7.9 t80 53.33 102.95 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 113.743 1.016 . . . . 3.22 113.743 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 1.3 tp -118.05 119.72 33.24 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.29 -0.868 . . . . 4.29 109.122 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -96.15 149.5 1.26 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.963 2.442 . . . . 4.15 114.145 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -165.09 88.5 0.45 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.66 -0.7 . . . . 5.63 110.489 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -139.58 22.66 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 8.97 110.677 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 59.0 m -132.23 -120.08 0.2 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 6.12 110.666 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.509 ' HB1' HD21 ' B' ' 56' ' ' LEU . . . -153.2 97.92 2.22 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.179 0.514 . . . . 7.92 111.267 -178.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -120.51 -7.07 9.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.566 -0.743 . . . . 11.04 110.957 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -108.72 10.48 26.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.977 -0.556 . . . . 12.93 110.147 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.509 HD21 ' HB1' ' B' ' 53' ' ' ALA . 3.3 mm? -87.88 -91.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.737 -0.665 . . . . 12.29 110.826 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.19 -74.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.452 -0.34 . . . . 12.46 110.758 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.32 -167.22 17.33 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.745 -0.741 . . . . 14.22 112.271 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -84.57 77.54 10.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.985 0.421 . . . . 16.96 110.401 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -128.83 85.89 2.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.95 -0.568 . . . . 18.68 111.045 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.2 m -78.13 -38.09 44.64 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.241 -0.281 . . . . 19.62 110.241 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--O 1.252 1.205 0 CA-C-N 115.441 -0.8 . . . . 21.41 111.514 179.675 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.46 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.548 0 O5'-C5'-C4' 111.586 0.99 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.084 0 O4'-C1'-N19 109.153 1.691 . . . . 6.38 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.431 ' OP2' HG11 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-N19 109.315 1.893 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.526 " H2'" HE22 ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O3'-P-O5' 100.839 -1.664 . . . . 5.97 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O3'-P-O5' 100.728 -1.722 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O3'-P-O5' 100.641 -1.768 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.419 -0.911 0 O3'-P-O5' 100.192 -2.004 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O3'-P-O5' 100.338 -1.927 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O3'-P-O5' 100.218 -1.99 . . . . 6.24 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.414 ' C8 ' ' H73' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O3'-P-O5' 100.817 -1.675 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.562 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.083 0 C5'-C4'-C3' 111.335 -2.243 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.443 ' C6 ' ' H71' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.416 -1.136 0 O3'-P-O5' 98.4 -2.947 . . . . 4.84 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.443 ' H71' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.416 -1.125 0 O3'-P-O5' 100.013 -2.098 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.154 0 O3'-P-O5' 99.85 -2.184 . . . . 7.65 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O3'-P-O5' 100.553 -1.814 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O3'-P-O5' 100.315 -1.939 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C1'-N19 108.912 1.39 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 N19-C1'-C2' 115.969 1.106 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . 0.412 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-N19 108.798 1.247 . . . . 7.58 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.525 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C1'-N19 109.132 1.666 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.48 H2'' ' OP2' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O4'-C1'-N19 109.947 2.684 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.48 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.421 -0.783 0 O3'-P-O5' 99.882 -2.167 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.047 0 O3'-P-O5' 100.905 -1.629 . . . . 7.47 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.014 0 O4'-C1'-N19 109.327 1.908 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.418 -1.021 0 O3'-P-O5' 99.915 -2.15 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.418 -1.002 0 O3'-P-O5' 99.925 -2.145 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O3'-P-O5' 99.793 -2.214 . . . . 6.48 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . 0.4 H2'' ' OP2' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C1'-N19 109.341 1.927 . . . . 5.24 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . 0.4 ' OP2' H2'' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.417 -1.063 0 O3'-P-O5' 99.453 -2.393 . . . . 4.6 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.077 0 O3'-P-O5' 99.753 -2.235 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 O3'-P-O5' 99.764 -2.229 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O3'-P-O5' 100.036 -2.086 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O3'-P-O5' 100.634 -1.771 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.019 0 O3'-P-O5' 100.723 -1.725 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O3'-P-O5' 101.554 -1.287 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.123 0.93 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 tpt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.425 -0.213 . . . . 8.46 110.425 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.402 ' HZ1' ' CG ' ' A' ' 8' ' ' ASP . 12.7 tttm -151.11 107.41 3.0 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.675 -0.239 . . . . 7.55 110.852 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -85.51 -155.66 0.06 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.736 2.291 . . . . 4.58 110.795 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.534 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 28.9 t -97.9 142.44 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 122.247 1.022 . . . . 3.82 111.411 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.444 ' N ' HG11 ' A' ' 4' ' ' VAL . 37.7 p -120.44 163.34 18.06 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 105.633 -1.988 . . . . 3.76 105.633 176.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.639 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.6 mt -59.32 -22.58 61.46 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 119.372 -0.931 . . . . 2.85 110.93 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -65.35 -38.24 89.5 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.503 -0.771 . . . . 4.61 110.217 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.502 ' HB2' HG13 ' A' ' 4' ' ' VAL . 27.0 m-20 -65.58 -45.27 83.92 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 114.437 -1.256 . . . . 4.13 109.731 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.537 HG11 ' HE2' ' A' ' 42' ' ' MET . 96.7 t -68.07 -41.69 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 115.209 -0.905 . . . . 2.91 109.202 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HA ' HG13 ' A' ' 20' ' ' VAL . . . -57.47 -46.83 83.23 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.708 -1.133 . . . . 3.39 111.334 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.16 -49.31 61.8 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.647 -0.501 . . . . 5.24 109.647 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.848 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 50.2 t80 -60.81 -27.74 68.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.656 -0.702 . . . . 4.13 111.476 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.458 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -83.93 -27.95 28.19 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.742 0.782 . . . . 2.89 109.524 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.1 35.15 9.11 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-N 114.693 -1.139 . . . . 3.45 110.968 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.61 HG13 HG21 ' A' ' 34' ' ' THR . 5.6 m -139.48 146.54 25.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.498 -0.851 . . . . 3.39 110.178 -178.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -55.85 149.85 14.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.602 0.715 . . . . 4.52 110.384 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 71.2 t80 -51.62 -51.18 57.74 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.652 -1.158 . . . . 3.95 111.871 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.58 -22.15 64.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.549 -0.751 . . . . 5.71 111.927 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.542 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.1 m -68.67 -61.12 1.95 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.557 -0.292 . . . . 3.86 110.349 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.518 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -68.52 -29.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 3.01 111.932 -179.21 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.4 m -58.1 -42.5 85.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.142 0.496 . . . . 3.29 109.857 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -29.97 67.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.807 -0.812 . . . . 4.68 108.807 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.123 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 71.5 t -67.28 -50.37 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 114.533 -1.212 . . . . 3.04 110.51 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.456 HG21 ' HE3' ' A' ' 42' ' ' MET . 0.5 OUTLIER -64.29 -18.92 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.094 -0.957 . . . . 2.72 111.473 -179.604 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -96.32 -13.82 23.02 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.873 0.694 . . . . 3.68 112.873 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 165.32 -45.76 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.417 0.448 . . . . 6.64 111.762 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 1.123 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 57.63 63.42 1.83 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.09 0.471 . . . . 4.63 111.873 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -8.61 59.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.104 -0.498 . . . . 5.4 111.585 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -151.96 99.7 2.58 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.623 -0.51 . . . . 6.16 109.623 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.54 HG13 ' HB3' ' A' ' 27' ' ' ALA . 4.2 p -171.86 154.69 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.788 -0.642 . . . . 4.47 109.843 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.97 171.11 11.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.392 0.615 . . . . 3.8 112.139 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.1 -64.97 0.79 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.232 -0.894 . . . . 3.6 112.054 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HE2' ' HB3' ' A' ' 33' ' ' LYS . 7.7 ptpt -52.31 -33.77 43.89 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.204 0.446 . . . . 4.97 112.204 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.713 ' O ' HG12 ' A' ' 38' ' ' VAL . 26.6 m -63.91 -42.53 97.39 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 116.835 -0.166 . . . . 3.04 111.421 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -66.98 -37.11 83.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.095 -0.706 . . . . 4.53 109.095 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -67.63 -35.38 78.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.451 -1.25 . . . . 3.55 110.264 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -71.01 -46.69 61.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.583 -0.735 . . . . 3.16 110.683 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.018 HG22 HG12 ' A' ' 23' ' ' VAL . 2.5 m -64.98 -47.02 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.984 -0.376 . . . . 2.68 109.984 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.492 ' N ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.47 -42.14 99.28 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.972 -0.558 . . . . 3.27 110.008 179.108 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.749 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.96 -53.34 58.43 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.5 -0.926 . . . . 2.9 108.5 177.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.848 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.52 -51.83 51.93 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 113.236 0.828 . . . . 2.89 113.236 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.537 ' HE2' HG11 ' A' ' 9' ' ' VAL . 16.7 ptp -65.18 -32.29 73.89 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.732 -0.387 . . . . 2.88 110.417 -179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.91 66.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.972 0.415 . . . . 3.6 111.069 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.749 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.5 mm-40 -69.59 -44.36 70.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 4.09 110.82 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.8 mt -79.34 -0.0 30.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.468 -0.787 . . . . 4.07 110.611 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.494 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 13.5 t30 75.04 -49.06 0.65 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.757 0.661 . . . . 4.18 110.672 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.639 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.4 t80 51.85 58.26 5.64 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.871 0.843 . . . . 3.27 109.523 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 9.9 tp -49.0 116.72 5.72 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 113.931 -1.486 . . . . 3.99 113.462 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HB2' ' H ' ' A' ' 50' ' ' ASN . 79.1 Cg_endo -98.93 -142.78 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 123.614 2.876 . . . . 4.1 111.325 177.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.444 ' H ' ' HB2' ' A' ' 49' ' ' PRO . 63.0 t30 -81.54 68.51 7.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.422 0.629 . . . . 5.58 110.25 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -106.78 36.41 2.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.699 -0.682 . . . . 9.64 110.979 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.28 119.21 1.24 Allowed 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.78 0.8 . . . . 5.87 110.67 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -159.75 148.99 17.9 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.101 -1.409 . . . . 8.15 110.656 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -152.41 142.45 22.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.735 -0.211 . . . . 10.55 110.57 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 69.86 -59.99 0.49 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.91 0.884 . . . . 13.52 112.017 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.7 mt -75.11 138.55 42.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.128 -0.487 . . . . 12.14 111.072 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.47 151.95 36.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.132 -0.485 . . . . 14.26 110.544 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.543 ' HA3' HG23 ' B' ' 48' ' ' ILE . . . -148.52 157.56 27.35 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.931 -0.652 . . . . 16.04 111.504 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -118.77 157.27 27.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.913 0.387 . . . . 17.98 110.813 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -89.31 150.18 22.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.754 -0.657 . . . . 19.89 109.979 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.9 47.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.018 0.437 . . . . 20.57 111.212 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.5 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 22.18 110.622 -179.637 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.5 ttm . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.285 0.564 . . . . 10.83 110.136 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 0.3 OUTLIER -144.55 120.72 6.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.757 -0.656 . . . . 8.7 110.265 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.43 ' HD2' HG12 ' B' ' 48' ' ' ILE . 24.8 Cg_exo -63.27 -56.27 0.58 Allowed 'Trans proline' 0 CA--C 1.515 -0.44 0 C-N-CA 123.103 2.535 . . . . 4.88 112.928 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.481 HG11 ' CB ' ' B' ' 8' ' ' ASP . 36.8 t -126.0 143.13 40.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.811 0.815 . . . . 3.44 111.396 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.429 ' O ' HG12 ' B' ' 4' ' ' VAL . 32.9 p -109.52 159.25 17.22 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 105.864 -1.902 . . . . 3.24 105.864 175.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.962 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.4 mt -61.4 -20.89 63.57 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 118.858 -1.137 . . . . 2.75 109.336 178.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.58 -40.12 96.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.746 -1.115 . . . . 4.42 109.893 177.839 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.481 ' CB ' HG11 ' B' ' 4' ' ' VAL . 20.5 m-20 -64.16 -44.46 92.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 113.855 -1.521 . . . . 3.77 109.739 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.532 HG11 ' HE1' ' B' ' 42' ' ' MET . 93.9 t -67.9 -41.64 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.186 -0.916 . . . . 2.69 109.239 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.519 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -59.93 -46.89 87.94 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.238 -1.346 . . . . 3.33 111.412 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.41 -49.11 70.45 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.497 0.665 . . . . 5.21 109.376 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.751 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 52.7 t80 -60.86 -28.25 68.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.903 -1.044 . . . . 3.88 111.29 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.423 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -84.97 -26.73 26.95 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.452 0.644 . . . . 2.94 109.281 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.27 31.7 13.56 Favored Glycine 0 CA--C 1.501 -0.834 0 CA-C-N 114.719 -1.128 . . . . 3.68 111.32 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.655 HG21 HG13 ' B' ' 20' ' ' VAL . 9.5 m -140.21 150.88 21.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.648 -0.776 . . . . 3.67 110.758 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 14.2 m -47.35 161.98 0.07 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.601 0.715 . . . . 4.41 112.349 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.708 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 66.4 t80 -60.42 -60.89 3.09 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 114.971 -1.013 . . . . 3.82 108.851 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.973 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -71.3 11.31 0.46 Allowed 'General case' 0 C--O 1.251 1.145 0 C-N-CA 120.16 -0.616 . . . . 5.51 112.222 174.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.619 ' O ' HG21 ' B' ' 23' ' ' VAL . 45.8 m -74.4 -63.21 1.28 Allowed 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 101.894 -3.372 . . . . 4.01 101.894 170.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.869 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.6 m -75.48 -32.06 24.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 113.943 -1.48 . . . . 2.96 112.652 177.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.973 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 37.5 t -61.62 -36.57 81.13 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 121.422 -0.799 . . . . 3.31 110.011 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -67.91 -32.37 72.8 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.386 -1.339 . . . . 5.7 107.386 178.272 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.899 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 87.3 t -66.04 -50.49 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 113.747 -1.57 . . . . 3.44 109.653 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.22 -20.61 27.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.053 -0.976 . . . . 3.12 112.364 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -97.37 -9.57 27.19 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.82 -0.752 . . . . 4.07 112.793 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 166.66 -54.05 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.786 0.834 . . . . 6.22 110.874 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.899 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 60.81 42.67 13.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.969 -1.014 . . . . 4.48 111.703 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -22.64 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.145 0.497 . . . . 5.9 110.742 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.65 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 27.4 m170 -132.07 87.03 2.39 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.918 -0.583 . . . . 6.89 109.921 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.657 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 17.4 m -144.9 176.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.406 -0.361 . . . . 4.57 111.163 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 43.1 m -106.82 170.54 7.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.243 -0.435 . . . . 4.12 110.961 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.97 -69.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.522 -0.763 . . . . 3.55 112.572 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -52.91 -28.93 25.67 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.17 0.433 . . . . 5.39 112.17 -178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.685 ' O ' HG11 ' B' ' 38' ' ' VAL . 15.6 m -62.53 -54.78 34.75 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 111.733 0.272 . . . . 3.3 111.733 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -60.1 -41.12 91.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.982 0.42 . . . . 4.15 110.929 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.16 -33.87 76.35 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.502 -0.772 . . . . 2.94 111.331 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -77.39 -42.15 37.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.574 -0.285 . . . . 3.51 110.741 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.869 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.3 m -68.22 -45.14 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.666 -0.494 . . . . 2.65 109.666 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.465 ' N ' HG23 ' B' ' 38' ' ' VAL . 11.3 mt-10 -62.14 -37.61 85.81 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.178 -0.675 . . . . 3.0 109.178 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.66 -54.96 31.52 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.634 -0.876 . . . . 2.67 108.634 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.751 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.15 -51.43 53.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.618 -0.719 . . . . 2.68 112.751 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.532 ' HE1' HG11 ' B' ' 9' ' ' VAL . 16.9 ptp -64.22 -32.03 73.46 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.032 -0.267 . . . . 2.74 110.381 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.11 -44.59 65.32 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.073 0.463 . . . . 3.43 111.069 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.423 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.9 OUTLIER -67.8 -43.42 79.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.72 -0.673 . . . . 3.81 110.391 -179.444 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.0 mt -80.72 0.91 32.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.648 -0.706 . . . . 3.86 110.758 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 2.4 t-20 75.47 -56.5 0.61 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.503 0.721 . . . . 4.39 110.189 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.962 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 2.5 t80 54.57 98.16 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 O-C-N 124.008 0.817 . . . . 3.22 111.434 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.543 HG23 ' HA3' ' A' ' 58' ' ' GLY . 1.6 pp -80.62 152.18 72.28 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-N 115.773 -0.649 . . . . 4.29 111.405 -178.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 48' ' ' ILE . 70.0 Cg_endo -91.94 125.16 0.8 Allowed 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.675 2.917 . . . . 4.15 111.763 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.93 85.75 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.796 -0.361 . . . . 5.63 111.652 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 29.0 ttm-85 -178.89 -83.69 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.017 -0.538 . . . . 8.97 110.532 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 7.8 t 174.13 139.61 0.04 OUTLIER 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 108.284 -1.006 . . . . 6.12 108.284 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.06 -78.0 0.07 Allowed 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 114.274 -1.33 . . . . 7.92 111.711 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.423 ' HB2' ' OE1' ' B' ' 55' ' ' GLN . 2.5 pt20 -158.21 -170.23 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.735 0.303 . . . . 11.04 110.289 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.423 ' OE1' ' HB2' ' B' ' 54' ' ' GLN . 1.5 pm0 -80.29 10.01 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.522 . . . . 12.93 111.201 -179.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 71.7 mt 61.36 20.4 11.07 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.921 -0.582 . . . . 12.29 111.685 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.48 170.75 14.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.236 -0.438 . . . . 12.46 110.374 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 90.54 -7.06 81.96 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.715 -0.755 . . . . 14.22 112.086 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -64.87 -30.66 71.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 16.96 110.887 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -128.04 45.45 2.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.945 -0.57 . . . . 18.68 109.951 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 36.3 m -122.74 141.12 52.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.931 -0.577 . . . . 19.62 110.539 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.766 -0.635 . . . . 21.41 110.063 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.476 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 O4'-C1'-N19 108.612 1.015 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.405 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.014 0 O4'-C1'-N19 109.513 2.141 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.459 ' OP2' HG22 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O3'-P-O5' 100.824 -1.672 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-N19 109.264 1.83 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-N19 108.886 1.357 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C1'-N19 109.442 2.052 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-N19 109.499 2.124 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O4'-C1'-N19 109.16 1.7 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.419 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O3'-P-O5' 101.086 -1.534 . . . . 6.24 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.426 ' C8 ' ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-N19 108.809 1.261 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.44 " H3'" ' OH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 110.053 2.816 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O3'-P-O5' 99.221 -2.515 . . . . 4.84 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.43 ' C6 ' ' H73' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O3'-P-O5' 100.009 -2.101 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.43 ' H73' ' C6 ' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.124 0 O4'-C1'-N19 109.227 1.783 . . . . 7.65 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.037 0 O3'-P-O5' 100.688 -1.743 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O3'-P-O5' 100.604 -1.787 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 O4'-C1'-N19 108.906 1.382 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 N19-C1'-C2' 115.814 1.009 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . 0.452 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.579 0 O4'-C1'-C2' 107.034 0.849 . . . . 7.58 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.65 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O4'-C1'-N19 109.568 2.21 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.657 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-N19 109.982 2.727 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.504 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.523 -0.515 0 O3'-P-O5' 100.125 -2.039 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . 0.423 ' N6 ' HE22 ' B' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-N19 108.757 1.196 . . . . 7.47 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C1'-N19 109.495 2.119 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-N19 109.455 2.068 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 O4'-C1'-N19 109.282 1.853 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O3'-P-O5' 100.83 -1.669 . . . . 6.48 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-N19 108.951 1.438 . . . . 5.24 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 109.653 2.316 . . . . 4.6 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.094 0 O3'-P-O5' 100.342 -1.925 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.969 0 O3'-P-O5' 100.029 -2.09 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O3'-P-O5' 100.616 -1.781 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C1'-N19 109.149 1.686 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C1'-N19 109.076 1.595 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O3'-P-O5' 101.592 -1.268 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.107 0.915 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.12 -0.326 . . . . 8.46 110.12 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 6.3 ptmm? -104.32 147.52 34.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 N-CA-C 110.294 -0.262 . . . . 7.55 110.294 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 3.4 Cg_exo -76.66 174.69 12.43 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.787 2.325 . . . . 4.58 112.544 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.583 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 94.6 t -125.24 144.22 36.05 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 CA-C-N 115.432 -0.804 . . . . 3.82 109.815 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 40.2 p -108.67 158.51 17.54 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 106.465 -1.68 . . . . 3.76 106.465 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.911 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 1.6 mt -59.02 -23.98 62.42 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.051 -1.059 . . . . 2.85 110.756 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -65.21 -35.45 81.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.313 -0.858 . . . . 4.61 110.042 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.545 ' CB ' HG13 ' A' ' 4' ' ' VAL . 5.1 m-20 -65.51 -46.81 78.24 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 114.377 -1.283 . . . . 4.13 109.815 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.511 HG12 ' HE3' ' A' ' 42' ' ' MET . 96.3 t -68.37 -41.24 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 115.712 -0.676 . . . . 2.91 109.365 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.0 -46.82 84.62 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.581 -1.191 . . . . 3.39 111.603 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.81 -49.78 60.44 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.497 0.665 . . . . 5.24 109.535 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.806 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 52.8 t80 -60.51 -27.42 67.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.677 -1.147 . . . . 4.13 111.752 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' A' ' 15' ' ' VAL . . . -85.05 -27.6 26.23 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.602 0.715 . . . . 2.89 109.659 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 35.12 8.95 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 114.751 -1.113 . . . . 3.45 110.957 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.531 HG22 HG13 ' A' ' 38' ' ' VAL . 5.2 m -139.08 147.36 24.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.315 -0.942 . . . . 3.39 109.847 -178.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 m -55.72 150.29 12.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.639 0.733 . . . . 4.52 110.239 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.657 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 79.1 t80 -51.7 -51.45 55.92 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 114.49 -1.232 . . . . 3.95 112.219 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -25.05 66.43 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.465 -0.789 . . . . 5.71 111.694 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.7 m -64.98 -61.49 2.13 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.884 0.373 . . . . 3.86 110.229 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.532 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -69.37 -29.1 40.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 3.01 111.291 -179.736 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.403 ' HA ' ' CD1' ' A' ' 6' ' ' LEU . 33.9 t -58.43 -43.69 88.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.039 -0.726 . . . . 3.29 109.039 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 19' ' ' THR . 1.7 ptm180 -70.16 -26.56 63.98 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.761 -0.654 . . . . 4.68 109.379 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.083 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 46.9 t -66.39 -50.35 68.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.377 -0.829 . . . . 3.04 110.562 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -21.02 28.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.041 -0.981 . . . . 2.72 112.124 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -110.88 -10.12 14.43 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.543 0.942 . . . . 3.68 113.543 -177.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -171.96 -79.45 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.067 0.395 . . . . 6.64 112.067 -179.388 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 1.083 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . 56.76 50.23 12.91 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.034 0.533 . . . . 4.63 112.095 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -74.74 -12.32 60.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.208 -0.451 . . . . 5.4 110.97 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -146.51 92.34 2.15 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.353 -0.385 . . . . 6.16 110.754 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.598 HG21 ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -154.8 160.74 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.571 -0.741 . . . . 4.47 109.01 179.581 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.462 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 50.7 m -71.13 167.29 19.64 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.203 0.525 . . . . 3.8 111.48 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.504 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.06 -59.15 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.403 -0.817 . . . . 3.6 110.318 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -53.33 -34.21 56.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.658 -0.701 . . . . 4.97 111.501 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.675 ' O ' HG12 ' A' ' 38' ' ' VAL . 7.4 m -63.38 -46.87 84.48 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.525 -0.307 . . . . 3.04 111.708 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.439 ' O ' HG21 ' A' ' 38' ' ' VAL . 20.0 mtm180 -67.31 -37.84 84.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.462 -0.57 . . . . 4.53 109.462 -178.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 19.0 mt-10 -68.14 -30.54 69.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.271 -0.877 . . . . 3.55 110.131 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -73.65 -47.69 37.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.05 -0.523 . . . . 3.16 109.815 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.057 HG22 HG11 ' A' ' 23' ' ' VAL . 3.0 m -64.17 -44.84 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 108.735 -0.839 . . . . 2.68 108.735 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' HG23 ' A' ' 38' ' ' VAL . 5.7 mt-10 -57.79 -48.95 78.22 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.427 -0.806 . . . . 3.27 109.601 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.03 -55.55 33.65 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 109.244 -0.65 . . . . 2.9 109.244 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.806 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.73 -51.51 49.34 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.284 0.846 . . . . 2.89 113.284 -178.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.516 ' HE3' ' HB3' ' A' ' 42' ' ' MET . 16.6 ptp -65.26 -32.49 74.19 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.697 -0.401 . . . . 2.88 110.337 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.27 -44.26 65.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.971 0.415 . . . . 3.6 111.348 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -43.25 74.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.83 -0.623 . . . . 4.09 110.795 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.9 mt -81.37 0.44 37.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.857 -0.61 . . . . 4.07 110.613 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 t30 74.86 -54.91 0.66 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.505 0.722 . . . . 4.18 110.023 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.911 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.7 t80 61.09 111.75 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 122.073 0.939 . . . . 3.27 111.773 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.632 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 2.6 pp -63.99 160.77 44.49 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.132 -0.94 . . . . 3.99 111.624 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.632 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 61.4 Cg_endo -72.29 76.24 2.25 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.306 2.671 . . . . 4.1 112.575 -179.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -71.98 -29.3 64.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.607 -0.724 . . . . 5.58 112.553 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.555 ' HD2' ' OP1' ' D' ' 12' ' ' ' DC' . 0.0 OUTLIER -137.73 -77.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.622 -0.674 . . . . 9.64 111.768 -179.34 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.13 114.41 0.79 Allowed 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.461 0.648 . . . . 5.87 109.771 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.33 120.6 12.28 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 114.738 -1.119 . . . . 8.15 110.627 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -133.47 -91.73 0.36 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.252 0.549 . . . . 10.55 109.663 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -116.41 -9.76 11.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.418 -0.81 . . . . 13.52 109.412 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.4 tp -166.52 164.05 17.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.012 -0.994 . . . . 12.14 108.663 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.13 -49.32 0.1 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.283 0.364 . . . . 14.26 110.316 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.34 158.82 53.73 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.749 -0.659 . . . . 16.04 112.72 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -127.65 116.14 19.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.807 0.337 . . . . 17.98 110.525 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -136.06 151.5 49.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.088 -0.505 . . . . 19.89 109.823 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -74.61 85.47 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.739 0.304 . . . . 20.57 110.855 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.0 tp . . . . . 0 N--CA 1.465 0.315 0 CA-C-N 115.941 -0.572 . . . . 22.18 111.706 179.448 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.5 mtm . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.076 0.465 . . . . 10.83 110.783 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -128.47 116.33 19.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.74 -0.664 . . . . 8.7 109.62 179.647 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 7.1 Cg_exo -74.25 161.01 41.4 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 123.238 2.625 . . . . 4.88 113.317 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.608 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 73.4 t -127.9 140.45 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 CA-C-N 115.172 -0.922 . . . . 3.44 109.166 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.438 ' O ' HG11 ' B' ' 4' ' ' VAL . 31.9 p -98.49 156.47 16.76 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 106.651 -1.611 . . . . 3.24 106.651 177.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.865 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -60.9 -21.67 63.58 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 118.356 -1.337 . . . . 2.75 109.079 178.435 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -64.01 -40.24 95.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.671 -1.149 . . . . 4.42 109.842 177.33 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.547 ' CB ' HG13 ' B' ' 4' ' ' VAL . 7.6 m-20 -61.83 -44.53 96.66 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 114.087 -1.415 . . . . 3.77 109.726 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.516 HG13 ' HE1' ' B' ' 42' ' ' MET . 70.8 t -68.55 -41.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.419 -0.81 . . . . 2.69 109.076 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.471 ' HA ' HG12 ' B' ' 20' ' ' VAL . . . -58.87 -46.11 88.56 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.254 -1.339 . . . . 3.33 111.467 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.06 -49.16 71.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.749 -0.659 . . . . 5.21 109.621 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.824 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 47.3 t80 -61.46 -28.1 69.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.837 -1.074 . . . . 3.88 111.401 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.443 ' HB1' HG21 ' B' ' 15' ' ' VAL . . . -86.16 -26.51 25.12 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.764 0.792 . . . . 2.94 108.986 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.13 32.71 11.81 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 114.284 -1.325 . . . . 3.68 111.916 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.66 HG23 HG11 ' B' ' 20' ' ' VAL . 8.1 m -139.78 150.38 22.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.131 -0.534 . . . . 3.67 112.078 -176.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.518 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -49.97 154.8 1.03 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.374 0.607 . . . . 4.41 110.656 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.865 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 66.3 t80 -51.25 -59.89 3.71 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 108.423 -0.954 . . . . 3.82 108.423 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.729 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -70.53 6.77 1.27 Allowed 'General case' 0 CA--C 1.482 -1.665 0 CA-C-N 115.179 -0.919 . . . . 5.51 112.518 178.038 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.643 HG23 ' HB ' ' B' ' 15' ' ' VAL . 18.7 m -72.66 -64.35 0.98 Allowed 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 101.675 -3.454 . . . . 4.01 101.675 170.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.732 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.2 m -75.79 -31.1 22.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 CA-C-N 112.845 -1.979 . . . . 2.96 114.291 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.729 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 36.2 t -61.43 -33.19 73.3 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.559 -0.713 . . . . 3.31 109.409 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.478 HH12 ' C7 ' ' D' ' 4' ' ' ' DT' . 0.0 OUTLIER -66.96 -33.57 75.86 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.035 -1.469 . . . . 5.7 107.035 178.295 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 1.103 ' HA ' ' HB1' ' B' ' 27' ' ' ALA . 93.6 t -66.09 -50.98 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 113.605 -1.634 . . . . 3.44 109.528 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.24 -20.19 26.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.549 -1.205 . . . . 3.12 112.741 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.436 ' O ' ' HG2' ' B' ' 26' ' ' GLN . 4.4 m-80 -99.48 -10.21 22.43 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.44 -0.904 . . . . 4.07 113.3 -176.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' B' ' 25' ' ' ASN . 3.0 mm-40 170.89 -53.67 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.909 0.756 . . . . 6.22 110.734 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 1.103 ' HB1' ' HA ' ' B' ' 23' ' ' VAL . . . 62.99 31.98 15.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.968 -1.015 . . . . 4.48 112.07 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -18.11 62.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.26 0.553 . . . . 5.9 111.215 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -130.27 88.75 2.69 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.088 -0.708 . . . . 6.89 109.088 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.534 ' HA ' " H3'" ' D' ' 2' ' ' ' DG' . 10.0 p -165.94 168.64 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.573 0.225 . . . . 4.57 110.961 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.7 p -94.71 176.69 6.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 4.12 111.574 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -70.84 -69.63 0.35 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.305 0.854 . . . . 3.55 113.305 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.419 ' HA ' ' OE1' ' B' ' 36' ' ' GLU . 7.3 pttp -48.57 -33.19 9.27 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.022 0.749 . . . . 5.39 113.022 -177.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.672 ' O ' HG11 ' B' ' 38' ' ' VAL . 87.2 m -60.57 -51.82 67.8 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 120.83 -0.348 . . . . 3.3 110.723 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.465 ' HA ' HG22 ' B' ' 38' ' ' VAL . 18.6 mtm180 -63.44 -35.51 80.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 4.15 110.409 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 41.1 mt-10 -66.83 -34.4 77.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.662 -0.699 . . . . 2.94 111.023 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -82.14 -40.28 22.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.255 -0.429 . . . . 3.51 111.465 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.877 HG23 HG11 ' B' ' 23' ' ' VAL . 4.3 m -67.86 -45.82 83.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.598 -0.519 . . . . 2.65 109.598 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.509 ' N ' HG21 ' B' ' 38' ' ' VAL . 3.3 mt-10 -62.74 -38.0 88.81 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.462 -0.57 . . . . 3.0 109.462 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.659 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.73 -54.18 43.09 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.382 -0.969 . . . . 2.67 108.382 177.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.824 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.08 -51.26 58.81 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.502 -0.772 . . . . 2.68 113.031 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.516 ' HE1' HG13 ' B' ' 9' ' ' VAL . 15.8 ptp -64.43 -32.17 73.68 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.988 -0.285 . . . . 2.74 110.334 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 -45.31 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 3.43 111.062 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.659 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 8.8 mm-40 -66.53 -44.82 81.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.746 -0.661 . . . . 3.81 110.711 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.2 mt -81.31 -0.04 39.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.702 -0.681 . . . . 3.86 110.671 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.0 t30 72.7 -46.76 0.66 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.556 0.742 . . . . 4.39 110.495 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.725 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 2.7 t80 53.97 82.49 0.08 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.632 0.73 . . . . 3.22 112.14 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.44 ' HA ' ' HD3' ' B' ' 49' ' ' PRO . 4.9 tp -89.28 122.0 68.95 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 115.527 -0.76 . . . . 4.29 110.081 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 48' ' ' ILE . 1.7 Cg_endo -83.04 65.38 7.95 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.823 2.349 . . . . 4.15 112.376 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.478 ' HB3' ' H ' ' B' ' 51' ' ' ARG . 0.2 OUTLIER -163.34 -122.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.818 0.342 . . . . 5.63 110.349 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.478 ' H ' ' HB3' ' B' ' 50' ' ' ASN . 5.8 tpt180 -178.43 -57.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.992 -0.744 . . . . 8.97 108.992 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.61 -86.24 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.629 -0.714 . . . . 6.12 110.105 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.09 65.68 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.592 -0.443 . . . . 7.92 111.822 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 49' ' ' PRO . 18.6 mt-30 -83.29 -42.16 17.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.155 0.502 . . . . 11.04 109.822 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -111.17 22.93 14.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.629 -0.714 . . . . 12.93 109.614 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.3 mt -127.03 162.08 26.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.247 -0.888 . . . . 12.29 109.965 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.31 75.82 5.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.967 0.413 . . . . 12.46 111.1 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -138.51 45.61 1.03 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.966 -0.635 . . . . 14.22 111.878 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -89.64 149.07 22.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.878 0.37 . . . . 16.96 110.448 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.442 HE21 ' HB2' ' B' ' 60' ' ' GLN . 0.1 OUTLIER -109.89 10.62 24.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.594 0.712 . . . . 18.68 109.133 179.002 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.11 164.87 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.02 -0.991 . . . . 19.62 110.63 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 30.8 tp . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.651 -0.69 . . . . 21.41 110.158 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.046 0.86 . . . . 7.21 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.424 " H3'" ' N ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-N19 109.341 1.926 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 P-O5'-C5' 118.224 -1.673 . . . . 6.08 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O3'-P-O5' 100.439 -1.874 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C1'-N19 108.921 1.401 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 109.378 1.973 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 O4'-C1'-N19 109.454 2.067 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O4'-C1'-N19 109.24 1.799 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O3'-P-O5' 100.876 -1.644 . . . . 6.24 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.437 ' C8 ' ' H73' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-N19 108.922 1.402 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.437 ' H73' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.42 -0.817 0 O4'-C1'-N19 109.992 2.74 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.427 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O3'-P-O5' 99.292 -2.478 . . . . 4.84 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.427 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O3'-P-O5' 100.276 -1.96 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.03 0 O3'-P-O5' 100.533 -1.825 . . . . 7.65 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 O4'-C1'-N19 109.247 1.808 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-N19 109.332 1.915 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-N19 108.914 1.393 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-C2' 107.179 0.981 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-N19 108.915 1.394 . . . . 7.58 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.534 " H3'" ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-N19 109.267 1.834 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.463 H2'' ' OP2' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.064 0 O4'-C1'-N19 109.607 2.259 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.478 ' C7 ' HH12 ' B' ' 22' ' ' ARG . . . . . . . . 0 O5'--C5' 1.431 -0.541 0 O3'-P-O5' 100.014 -2.098 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 108.928 1.41 . . . . 7.47 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-N19 109.48 2.1 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 O4'-C1'-N19 109.577 2.222 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O3'-P-O5' 100.512 -1.836 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.404 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O3'-P-O5' 100.591 -1.794 . . . . 6.48 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . 0.456 ' C8 ' ' H73' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-N19 109.034 1.543 . . . . 5.24 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . 0.456 ' H73' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.419 -0.91 0 O4'-C1'-N19 109.944 2.68 . . . . 4.6 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . 0.555 ' OP1' ' HD2' ' A' ' 51' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O3'-P-O5' 100.078 -2.064 . . . . 4.71 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O3'-P-O5' 100.282 -1.957 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O3'-P-O5' 100.629 -1.774 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O3'-P-O5' 100.89 -1.637 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-N19 109.146 1.682 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O3'-P-O5' 101.583 -1.272 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 107.01 0.827 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.788 -0.449 . . . . 8.46 109.788 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -130.61 136.66 29.3 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.745 0.307 . . . . 7.55 110.211 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.738 ' HG3' ' HB3' ' A' ' 50' ' ' ASN . 43.2 Cg_endo -92.4 -153.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.006 2.471 . . . . 4.58 112.106 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.652 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 25.5 t -100.63 147.52 7.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 122.006 0.908 . . . . 3.82 112.09 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.468 ' N ' HG11 ' A' ' 4' ' ' VAL . 33.1 p -122.4 162.87 20.81 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 105.796 -1.927 . . . . 3.76 105.796 176.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.603 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.7 mt -59.21 -23.45 62.29 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 119.542 -0.863 . . . . 2.85 111.151 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -65.22 -39.38 92.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.714 0.769 . . . . 4.61 110.023 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.48 ' HB2' HG13 ' A' ' 4' ' ' VAL . 41.0 m-20 -66.07 -44.42 84.52 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.441 -1.254 . . . . 4.13 109.818 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' HE1' ' A' ' 42' ' ' MET . 91.2 t -68.07 -41.19 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 CA-C-N 115.536 -0.757 . . . . 2.91 109.227 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.19 -48.11 81.36 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.577 -1.192 . . . . 3.39 111.256 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.71 -48.42 63.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.958 -0.564 . . . . 5.24 109.494 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.806 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.3 t80 -60.65 -27.76 68.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 4.13 111.6 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.428 ' HB1' HG22 ' A' ' 15' ' ' VAL . . . -84.54 -27.87 27.05 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.691 0.758 . . . . 2.89 109.539 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.74 34.46 9.12 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 114.75 -1.114 . . . . 3.45 110.997 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.713 HG13 HG22 ' A' ' 34' ' ' THR . 4.5 m -139.33 146.88 24.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.395 -0.902 . . . . 3.39 109.938 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 m -55.68 151.95 10.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.6 0.714 . . . . 4.52 110.478 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.0 t80 -54.1 -50.89 65.82 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.625 -1.17 . . . . 3.95 111.372 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HG2' ' N6 ' ' C' ' 6' ' ' ' DA' . 0.5 OUTLIER -58.8 -27.61 65.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.008 -0.997 . . . . 5.71 111.572 -179.626 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.644 ' O ' HG22 ' A' ' 23' ' ' VAL . 3.2 m -67.28 -61.69 1.79 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.435 -0.348 . . . . 3.86 111.077 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.593 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -65.74 -28.85 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 3.01 111.861 -178.177 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.0 m -56.96 -45.25 82.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.084 0.469 . . . . 3.29 109.807 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -28.79 64.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.362 -0.607 . . . . 4.68 109.362 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.706 HG12 HG22 ' A' ' 38' ' ' VAL . 91.4 t -68.05 -43.36 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 114.924 -1.035 . . . . 3.04 110.151 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.511 ' CG2' ' HE2' ' A' ' 42' ' ' MET . 41.7 t -63.93 -22.1 30.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-O 121.512 0.672 . . . . 2.72 109.56 178.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.487 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 5.5 m-80 -93.37 -1.48 55.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.554 -0.748 . . . . 3.68 109.978 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 85.9 mt-30 84.42 -48.95 0.11 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.518 -1.219 . . . . 6.64 110.62 177.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.467 ' HB2' ' H ' ' A' ' 28' ' ' SER . . . 61.21 -101.42 0.11 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.677 -0.692 . . . . 4.63 111.194 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.467 ' H ' ' HB2' ' A' ' 27' ' ' ALA . 3.2 p -175.55 -59.73 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.843 0.354 . . . . 5.4 111.882 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.531 ' HB3' ' OP2' ' C' ' 2' ' ' ' DG' . 35.0 m-70 -87.93 -121.27 0.04 OUTLIER 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.124 0.416 . . . . 6.16 112.124 -178.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 23.7 t 72.15 151.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 123.588 0.755 . . . . 4.47 109.785 -178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.72 154.9 28.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.334 0.588 . . . . 3.8 111.876 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.16 -66.48 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.759 -1.109 . . . . 3.6 112.257 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -55.11 -29.08 56.92 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 112.691 0.626 . . . . 4.97 112.691 -178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.734 ' O ' HG12 ' A' ' 38' ' ' VAL . 61.6 m -70.78 -43.19 69.24 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 120.911 -0.316 . . . . 3.04 111.313 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -67.33 -38.21 84.53 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 108.472 -0.936 . . . . 4.53 108.472 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -67.62 -30.58 70.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.6 -1.182 . . . . 3.55 109.738 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.17 -46.75 55.08 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.877 -0.601 . . . . 3.16 110.0 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 34' ' ' THR . 1.3 m -65.84 -46.23 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 108.898 -0.778 . . . . 2.68 108.898 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 13.3 mt-10 -60.2 -40.62 90.72 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.714 -0.676 . . . . 3.27 109.657 178.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.793 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -63.16 -55.34 26.02 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.653 -0.869 . . . . 2.9 108.653 177.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.806 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.37 -51.26 47.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.82 0.674 . . . . 2.89 112.82 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.538 ' HE1' HG13 ' A' ' 9' ' ' VAL . 13.0 ptp -65.34 -32.14 73.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.677 -0.409 . . . . 2.88 110.204 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.63 -46.36 59.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.841 0.353 . . . . 3.6 110.972 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.793 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.2 mm-40 -66.14 -44.46 84.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.824 -0.625 . . . . 4.09 110.283 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 11.1 mt -80.45 -0.48 37.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.785 -0.643 . . . . 4.07 110.193 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.6 t30 71.49 -42.73 0.54 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.874 0.87 . . . . 4.18 110.903 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.652 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 1.2 t80 53.88 83.26 0.07 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.763 0.792 . . . . 3.27 110.495 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -114.28 128.7 25.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 114.987 -1.006 . . . . 3.99 111.032 -178.596 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 7.4 Cg_exo -73.27 111.71 3.35 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.856 2.371 . . . . 4.1 110.783 178.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.738 ' HB3' ' HG3' ' A' ' 3' ' ' PRO . 10.6 t-20 -97.68 -69.62 0.75 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.437 -0.347 . . . . 5.58 111.517 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 61.0 22.94 13.14 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 111.959 0.355 . . . . 9.64 111.959 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.606 ' SG ' ' HG2' ' B' ' 51' ' ' ARG . 99.4 m -112.64 97.64 6.71 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 122.308 1.051 . . . . 5.87 109.05 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.2 96.78 0.08 Allowed 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 113.298 -1.773 . . . . 8.15 111.823 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -94.1 -76.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.99 -0.55 . . . . 10.55 110.126 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -84.58 6.81 22.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.845 -0.616 . . . . 13.52 110.442 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.7 mt -93.46 11.56 28.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.001 -0.545 . . . . 12.14 110.23 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.77 12.36 22.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.005 -0.543 . . . . 14.26 111.099 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.74 166.1 20.94 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.656 -0.783 . . . . 16.04 112.489 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt 63.54 36.59 11.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.118 0.485 . . . . 17.98 111.256 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -77.88 -13.76 59.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.737 -0.665 . . . . 19.89 110.893 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.16 63.43 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 20.57 110.99 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.097 -0.501 . . . . 22.18 110.856 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.4 mtt . . . . . 0 C--O 1.233 0.212 0 CA-C-O 121.556 0.693 . . . . 10.83 109.358 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.75 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 50.0 mtpt -112.82 -55.06 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 114.99 -1.005 . . . . 8.7 109.78 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.75 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 83.5 Cg_endo -97.13 -159.96 0.05 OUTLIER 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.778 2.319 . . . . 4.88 112.52 178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.514 HG12 ' CB ' ' B' ' 8' ' ' ASP . 63.9 t -63.39 144.75 14.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.993 0.902 . . . . 3.44 111.916 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.421 ' O ' HG13 ' B' ' 4' ' ' VAL . 33.0 p -107.27 157.03 18.24 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 105.841 -1.911 . . . . 3.24 105.841 176.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 1.0 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 0.9 OUTLIER -61.1 -20.25 62.41 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 118.731 -1.188 . . . . 2.75 109.339 178.53 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.478 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.35 -38.2 90.2 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.761 -1.109 . . . . 4.42 109.807 177.413 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.514 ' CB ' HG12 ' B' ' 4' ' ' VAL . 9.4 m-20 -65.44 -44.65 86.61 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 113.928 -1.487 . . . . 3.77 109.679 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.501 HG12 ' HE2' ' B' ' 42' ' ' MET . 76.8 t -67.74 -41.76 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-N 115.245 -0.888 . . . . 2.69 109.628 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' B' ' 17' ' ' TYR . . . -60.02 -47.13 87.12 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.324 -1.307 . . . . 3.33 111.413 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.4 -48.14 76.52 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.817 -0.629 . . . . 5.21 109.328 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.833 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 42.8 t80 -61.56 -27.11 68.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.955 -1.02 . . . . 3.88 111.45 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.669 ' HB3' ' HG3' ' B' ' 37' ' ' LYS . . . -85.93 -25.87 25.85 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.515 0.674 . . . . 2.94 109.708 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.19 32.37 12.4 Favored Glycine 0 CA--C 1.5 -0.861 0 CA-C-N 114.863 -1.062 . . . . 3.68 111.077 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.689 ' HB ' HG21 ' B' ' 19' ' ' THR . 5.1 m -141.83 150.82 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.073 -1.064 . . . . 3.67 111.389 -177.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.47 ' HB2' ' OG1' ' B' ' 19' ' ' THR . 16.0 m -49.7 155.89 0.76 Allowed 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.78 0.8 . . . . 4.41 110.472 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.799 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.4 t80 -53.41 -58.43 7.13 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 114.664 -1.153 . . . . 3.82 109.393 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.862 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.347 0.0 OUTLIER -79.73 21.57 0.52 Allowed 'General case' 0 C--O 1.261 1.66 0 N-CA-C 114.172 1.175 . . . . 5.51 114.172 177.397 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.689 HG21 ' HB ' ' B' ' 15' ' ' VAL . 100.0 m -79.98 -60.63 2.26 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 101.284 -3.599 . . . . 4.01 101.284 169.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.813 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.5 m -73.78 -31.85 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-N 111.866 -2.425 . . . . 2.96 113.073 176.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.862 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 48.4 t -64.47 -35.58 81.4 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 121.689 -0.632 . . . . 3.31 109.36 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' B' ' 27' ' ' ALA . 34.9 mtp180 -64.04 -38.97 93.01 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 106.226 -1.768 . . . . 5.7 106.226 176.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.768 HG12 HG23 ' B' ' 38' ' ' VAL . 93.1 t -58.59 -51.9 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 114.227 -1.352 . . . . 3.44 108.756 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 51.2 t -68.05 -14.29 18.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 114.721 -1.127 . . . . 3.12 111.544 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 3.8 m-80 -105.85 8.8 32.89 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 121.345 -0.847 . . . . 4.07 111.199 -177.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.444 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 28.7 mm-40 72.87 61.27 0.11 Allowed 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 122.118 0.961 . . . . 6.22 109.075 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 22' ' ' ARG . . . -65.13 127.08 30.17 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 113.966 -1.47 . . . . 4.48 110.662 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.1 p -71.33 -21.54 62.04 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.594 0.59 . . . . 5.9 112.594 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -142.33 96.55 2.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 112.178 0.436 . . . . 6.89 112.178 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 m -144.04 169.76 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.422 -0.808 . . . . 4.57 109.291 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.566 ' O ' ' HD3' ' B' ' 35' ' ' ARG . 0.3 OUTLIER -99.79 159.46 15.04 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.437 -0.505 . . . . 4.12 111.881 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.33 -67.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.355 -0.838 . . . . 3.55 113.235 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' B' ' 33' ' ' LYS . 0.5 OUTLIER -44.9 -50.03 10.65 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 112.65 0.611 . . . . 5.39 112.65 -178.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 1.04 ' HA ' ' HD2' ' B' ' 37' ' ' LYS . 25.9 m -49.9 -43.67 49.63 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.773 -0.649 . . . . 3.3 111.58 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.566 ' HD3' ' O ' ' B' ' 31' ' ' SER . 11.2 mtp180 -65.46 -39.75 92.39 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.473 -0.565 . . . . 4.15 109.473 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -67.64 -32.65 73.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.279 -0.873 . . . . 2.94 110.463 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 1.04 ' HD2' ' HA ' ' B' ' 34' ' ' THR . 2.4 ptmt -72.99 -43.38 62.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 3.51 110.105 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.813 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -69.77 -41.93 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.147 -0.686 . . . . 2.65 109.147 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 5.1 mt-10 -58.85 -42.69 89.94 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.444 -0.798 . . . . 3.0 109.069 177.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.595 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.98 -52.77 61.71 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 109.033 -0.728 . . . . 2.67 109.033 177.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.833 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.98 -51.48 56.93 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 113.173 0.805 . . . . 2.68 113.173 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.513 ' HB3' ' HE2' ' B' ' 42' ' ' MET . 16.1 ptp -64.84 -32.33 73.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.585 0.231 . . . . 2.74 110.503 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.46 -42.59 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 3.43 111.333 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.8 mm-40 -69.22 -43.88 73.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.374 0.607 . . . . 3.81 110.621 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt -80.92 1.12 32.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.254 -0.885 . . . . 3.86 110.776 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.536 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 5.5 t-20 78.44 -56.44 0.47 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.835 0.709 . . . . 4.39 110.909 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 1.0 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 4.4 t80 47.0 95.71 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.932 0.77 . . . . 3.22 112.101 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.18 155.8 91.39 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.664 -0.698 . . . . 4.29 111.693 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -91.89 127.34 0.97 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.678 2.919 . . . . 4.15 112.6 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -148.03 93.52 2.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.384 -0.371 . . . . 5.63 110.186 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.606 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 39.4 ttt180 -170.01 -80.61 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.926 -0.579 . . . . 8.97 110.009 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 60.3 m -138.19 100.64 4.19 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.286 0.565 . . . . 6.12 109.776 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.502 ' HB3' ' H ' ' B' ' 54' ' ' GLN . . . 63.74 -100.2 0.08 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.132 -1.395 . . . . 7.92 111.722 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.502 ' H ' ' HB3' ' B' ' 53' ' ' ALA . 5.4 pt20 -159.95 -161.94 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.755 -0.461 . . . . 11.04 109.755 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.439 ' HG3' ' HG ' ' B' ' 56' ' ' LEU . 10.0 pt20 -66.58 -12.88 59.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.983 0.42 . . . . 12.93 111.192 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.439 ' HG ' ' HG3' ' B' ' 55' ' ' GLN . 86.9 mt -113.02 74.44 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.307 -0.406 . . . . 12.29 110.346 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.78 3.64 12.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.941 -0.572 . . . . 12.46 110.82 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -147.86 130.35 3.48 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.877 -0.677 . . . . 14.22 112.076 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' B' ' 62' ' ' LEU . 60.2 tttp -151.14 124.05 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.985 -0.376 . . . . 16.96 109.985 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -140.39 -87.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.778 0.323 . . . . 18.68 111.125 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.17 16.24 10.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.318 -0.401 . . . . 19.62 111.86 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' B' ' 59' ' ' LYS . 27.5 tp . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.1 -0.952 . . . . 21.41 109.825 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.448 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.579 0 O4'-C1'-N19 108.662 1.078 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.531 ' OP2' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.421 -1.191 0 O4'-C1'-N19 109.496 2.12 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O3'-P-O5' 100.945 -1.608 . . . . 6.08 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O3'-P-O5' 100.764 -1.703 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-N19 108.924 1.405 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . 0.411 ' N6 ' ' HG2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-N19 109.412 2.015 . . . . 7.87 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-N19 109.595 2.243 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 109.315 1.894 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.431 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O3'-P-O5' 101.188 -1.48 . . . . 6.24 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.474 ' C8 ' ' H71' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-N19 109.068 1.585 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.474 ' H71' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 110.017 2.771 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O3'-P-O5' 99.517 -2.359 . . . . 4.84 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.421 -0.8 0 O3'-P-O5' 99.861 -2.178 . . . . 6.08 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.153 0 C5'-C4'-C3' 112.023 -1.785 . . . . 7.65 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 O3'-P-O5' 100.951 -1.605 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O3'-P-O5' 100.531 -1.826 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O3'-P-O5' 101.416 -1.36 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 N19-C1'-C2' 115.684 0.927 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . 0.438 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-N19 108.539 0.924 . . . . 7.58 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.434 H2'' ' OP2' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C1'-N19 109.649 2.311 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.491 H2'' ' OP2' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-N19 109.627 2.284 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.491 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.523 -0.528 0 O3'-P-O5' 100.421 -1.884 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-N19 108.815 1.269 . . . . 7.47 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 109.517 2.146 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-N19 109.523 2.154 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C1'-N19 109.256 1.82 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.407 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O3'-P-O5' 100.745 -1.713 . . . . 6.48 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . 0.411 ' C8 ' ' H72' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-N19 108.907 1.384 . . . . 5.24 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . 0.411 ' H72' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C1'-N19 109.875 2.594 . . . . 4.6 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O3'-P-O5' 100.216 -1.992 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O3'-P-O5' 100.147 -2.028 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.033 0 O3'-P-O5' 100.699 -1.737 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C1'-N19 109.142 1.677 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-N19 109.159 1.699 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O3'-P-O5' 101.34 -1.4 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C4'-C3'-C2' 102.347 -0.853 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 tmm? . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.644 0.259 . . . . 8.46 110.423 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 65.6 mttt -103.63 145.85 31.39 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 110.178 -0.305 . . . . 7.55 110.178 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 12.5 Cg_exo -72.2 179.2 5.18 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.154 2.569 . . . . 4.58 113.163 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.85 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 87.0 t -107.53 151.29 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.157 -0.929 . . . . 3.82 111.058 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.528 ' N ' HG11 ' A' ' 4' ' ' VAL . 70.1 p -113.26 163.44 14.8 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 106.697 -1.594 . . . . 3.76 106.697 176.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.719 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 3.1 mt -59.98 -24.23 64.26 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 119.108 -1.037 . . . . 2.85 111.195 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -64.87 -39.95 94.35 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.87 0.843 . . . . 4.61 110.649 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.491 ' HB2' HG13 ' A' ' 4' ' ' VAL . 47.3 m-20 -65.66 -43.45 89.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 113.999 -1.455 . . . . 4.13 110.178 -177.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.518 HG13 ' HE1' ' A' ' 42' ' ' MET . 78.9 t -68.8 -41.99 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.64 0.733 . . . . 2.91 109.052 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.501 ' HA ' HG13 ' A' ' 20' ' ' VAL . . . -56.74 -48.89 76.76 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.318 -1.31 . . . . 3.39 111.498 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.33 -49.23 70.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 115.659 -0.701 . . . . 5.24 109.547 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.78 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.4 t80 -61.94 -29.92 70.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 4.13 111.654 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB1' HG22 ' A' ' 15' ' ' VAL . . . -79.92 -27.12 39.92 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.73 0.776 . . . . 2.89 109.265 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.8 33.02 10.27 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.624 -1.171 . . . . 3.45 110.488 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.552 HG23 HG12 ' A' ' 38' ' ' VAL . 4.5 m -139.27 145.7 26.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 114.055 -1.072 . . . . 3.39 109.858 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -56.26 152.39 11.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.76 0.79 . . . . 4.52 110.737 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.613 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.9 t80 -52.82 -51.12 62.09 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.379 -1.282 . . . . 3.95 111.618 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.98 -22.98 63.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.107 -0.951 . . . . 5.71 111.878 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.4 m -70.54 -62.17 1.49 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.406 -0.361 . . . . 3.86 110.776 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.505 ' HA ' HG23 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -69.12 -29.8 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.56 0.578 . . . . 3.01 112.56 -178.53 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -58.14 -42.34 85.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.258 0.551 . . . . 3.29 109.76 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.499 ' HG2' ' HA ' ' A' ' 27' ' ' ALA . 2.2 ttm180 -70.03 -30.75 68.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.967 -0.753 . . . . 4.68 108.967 178.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.028 HG12 HG22 ' A' ' 38' ' ' VAL . 74.3 t -65.25 -47.79 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.925 -1.034 . . . . 3.04 109.721 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.426 ' CG2' ' HE2' ' A' ' 42' ' ' MET . 21.6 t -63.74 -20.98 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.572 -0.74 . . . . 2.72 110.096 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.636 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -85.3 -12.41 52.4 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.834 -0.346 . . . . 3.68 111.388 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.636 ' HB3' ' O ' ' A' ' 25' ' ' ASN . 1.5 pt20 131.7 -23.11 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 125.82 1.648 . . . . 6.64 110.476 177.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.836 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 67.58 -175.29 0.19 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.731 -0.668 . . . . 4.63 111.689 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 p -162.71 -60.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.158 0.504 . . . . 5.4 110.853 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.5 90.62 3.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.217 0.532 . . . . 6.16 109.651 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.55 156.81 8.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 114.789 -1.096 . . . . 4.47 109.458 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.403 ' N ' " H3'" ' C' ' 2' ' ' ' DG' . 54.0 m -76.86 169.36 18.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.064 0.459 . . . . 3.8 110.998 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.3 -58.39 4.9 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.693 -0.685 . . . . 3.6 110.587 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -53.73 -28.81 36.35 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.406 0.441 . . . . 4.97 111.829 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.676 ' O ' HG11 ' A' ' 38' ' ' VAL . 6.6 m -63.78 -51.45 64.75 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 116.818 -0.173 . . . . 3.04 111.349 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 21.8 mtm180 -64.78 -37.35 87.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.844 0.354 . . . . 4.53 110.082 -178.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.97 -30.56 70.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.628 -0.715 . . . . 3.55 109.795 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -76.82 -45.72 27.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.843 -0.617 . . . . 3.16 110.439 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.028 HG22 HG12 ' A' ' 23' ' ' VAL . 2.3 m -64.3 -46.44 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.213 -0.662 . . . . 2.68 109.213 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.483 ' N ' HG23 ' A' ' 38' ' ' VAL . 4.7 mt-10 -58.7 -42.63 89.03 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.611 -0.722 . . . . 3.27 109.412 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.4 26.0 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.348 -0.612 . . . . 2.9 109.348 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.78 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.56 -51.49 47.61 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 113.455 0.909 . . . . 2.89 113.455 -178.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.518 ' HE1' HG13 ' A' ' 9' ' ' VAL . 16.5 ptp -64.37 -31.83 73.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.991 -0.374 . . . . 2.88 109.991 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.68 -47.36 47.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 3.6 111.186 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -44.52 80.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.682 -0.69 . . . . 4.09 110.961 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.2 mt -81.12 -1.54 44.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.183 -0.462 . . . . 4.07 110.627 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.436 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 2.9 t-20 72.97 -40.11 0.47 Allowed 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.845 0.716 . . . . 4.18 109.736 -178.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.85 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 0.8 OUTLIER 70.63 -64.52 0.37 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.219 1.008 . . . . 3.27 110.689 178.703 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 48' ' ' ILE . 9.9 tp 35.27 90.47 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 124.235 1.014 . . . . 3.99 113.479 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -72.8 116.62 4.79 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.724 2.283 . . . . 4.1 112.173 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -65.68 -17.05 64.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.25 0.548 . . . . 5.58 110.718 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -105.36 12.79 31.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.501 . . . . 9.64 111.227 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' B' ' 51' ' ' ARG . 3.5 m -161.26 105.67 1.32 Allowed 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.374 0.607 . . . . 5.87 110.306 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.488 ' HB1' ' HB1' ' B' ' 57' ' ' ALA . . . -64.25 95.07 0.12 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.796 -1.093 . . . . 8.15 111.342 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.502 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 11.8 mm100 -131.86 147.37 52.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.74 -0.664 . . . . 10.55 109.369 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 11.4 mt-30 77.77 -23.09 0.26 Allowed 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.949 0.78 . . . . 13.52 111.614 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.7 tp -72.95 94.04 1.8 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.905 0.383 . . . . 12.14 110.958 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.76 -87.89 0.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.915 -0.584 . . . . 14.26 110.153 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.32 -65.81 2.68 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 121.223 -0.513 . . . . 16.04 113.526 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -106.64 -69.17 0.84 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.955 0.407 . . . . 17.98 110.781 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -140.02 173.34 11.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.022 -0.536 . . . . 19.89 109.626 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 m -150.88 173.83 13.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.42 0.152 . . . . 20.57 110.758 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 N--CA 1.465 0.298 0 O-C-N 123.695 0.622 . . . . 22.18 111.209 179.82 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 C--O 1.233 0.22 0 CA-C-O 121.011 0.434 . . . . 10.83 110.792 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -92.9 127.09 49.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.915 -0.584 . . . . 8.7 109.9 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.76 -40.34 85.78 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.993 2.462 . . . . 4.88 113.413 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.57 HG11 ' HB2' ' B' ' 8' ' ' ASP . 27.7 t -144.1 142.17 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 122.169 0.985 . . . . 3.44 112.184 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.585 HG21 ' OP1' ' C' ' 11' ' ' ' DT' . 0.3 OUTLIER -114.24 157.89 22.11 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 105.7 -1.963 . . . . 3.24 105.7 176.129 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.932 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.1 mt -60.6 -19.3 57.38 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.878 -1.129 . . . . 2.75 110.168 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.401 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.2 OUTLIER -65.74 -38.77 90.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.704 -1.135 . . . . 4.42 110.346 177.338 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.57 ' HB2' HG11 ' B' ' 4' ' ' VAL . 19.8 m-20 -66.4 -42.13 88.31 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 114.828 -1.078 . . . . 3.77 109.961 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.534 HG11 ' HE2' ' B' ' 42' ' ' MET . 78.5 t -66.89 -41.31 87.44 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 CA-C-O 121.945 0.878 . . . . 2.69 109.047 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.21 -46.71 89.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.039 -1.437 . . . . 3.33 111.426 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -66.23 -47.88 72.35 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.092 -0.707 . . . . 5.21 109.092 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.787 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 53.1 t80 -60.51 -28.65 68.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.149 -0.932 . . . . 3.88 111.008 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.23 -26.39 25.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.571 0.7 . . . . 2.94 109.191 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 31.99 12.9 Favored Glycine 0 CA--C 1.504 -0.601 0 CA-C-N 114.551 -1.204 . . . . 3.68 111.457 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.671 ' HB ' HG23 ' B' ' 19' ' ' THR . 12.1 m -140.39 151.11 21.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-N 114.616 -0.792 . . . . 3.67 111.449 -176.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.447 ' O ' ' HB ' ' B' ' 19' ' ' THR . 2.0 p -52.48 162.29 0.57 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 121.577 0.703 . . . . 4.41 110.892 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.822 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 75.4 t80 -55.9 -60.72 3.06 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.271 -1.331 . . . . 3.82 111.701 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.901 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.276 0.0 OUTLIER -70.36 -3.15 16.06 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 124.489 1.118 . . . . 5.51 110.888 172.731 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.671 HG23 ' HB ' ' B' ' 15' ' ' VAL . 98.9 m -62.34 -60.4 3.61 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 102.076 -3.305 . . . . 4.01 102.076 169.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.979 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.1 m -76.88 -36.9 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 114.553 1.316 . . . . 2.96 114.553 177.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.901 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 43.3 t -57.8 -37.41 73.7 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.898 -0.501 . . . . 3.31 109.783 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.673 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.9 OUTLIER -65.55 -32.27 73.78 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 107.212 -1.403 . . . . 5.7 107.212 177.311 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 1.028 ' HA ' ' HB1' ' B' ' 27' ' ' ALA . 53.9 t -66.23 -51.71 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 114.186 -1.37 . . . . 3.44 109.538 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.423 HG21 ' HE3' ' B' ' 42' ' ' MET . 2.8 t -65.88 -20.87 28.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 114.469 -1.241 . . . . 3.12 111.777 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.535 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 2.6 m-80 -93.63 -11.38 31.8 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.033 -0.667 . . . . 4.07 112.504 -177.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.535 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 1.1 pt20 156.7 -38.9 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 O-C-N 123.909 0.756 . . . . 6.22 111.42 178.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 1.028 ' HB1' ' HA ' ' B' ' 23' ' ' VAL . . . 57.82 55.43 5.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.533 -0.758 . . . . 4.48 111.384 -178.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -18.81 64.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.707 -0.678 . . . . 5.9 111.399 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.649 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 75.3 m-70 -142.07 92.58 2.45 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 109.505 -0.554 . . . . 6.89 109.505 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.635 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 12.3 m -149.5 174.48 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.691 0.282 . . . . 4.57 111.105 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -103.96 -178.25 3.6 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.129 -0.487 . . . . 4.12 110.844 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.63 -74.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.925 -0.579 . . . . 3.55 112.493 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -49.85 -35.97 25.19 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.534 0.568 . . . . 5.39 112.534 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.677 ' O ' HG12 ' B' ' 38' ' ' VAL . 5.4 m -54.27 -50.79 66.43 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 111.684 0.253 . . . . 3.3 111.684 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -60.9 -39.31 88.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.282 0.563 . . . . 4.15 110.247 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.28 -37.06 80.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.173 -0.921 . . . . 2.94 111.412 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -72.99 -44.21 61.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.33 -0.396 . . . . 3.51 111.169 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.979 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -67.31 -46.24 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.802 -0.444 . . . . 2.65 109.802 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.501 ' N ' HG22 ' B' ' 38' ' ' VAL . 1.4 mt-10 -62.79 -37.65 87.54 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.274 -0.639 . . . . 3.0 109.274 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.18 -55.71 29.08 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 108.252 -1.018 . . . . 2.67 108.252 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.787 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.48 -51.38 47.62 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.612 -0.722 . . . . 2.68 112.734 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.534 ' HE2' HG11 ' B' ' 9' ' ' VAL . 16.9 ptp -65.14 -32.59 74.35 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.769 -0.372 . . . . 2.74 110.31 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.39 66.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.042 0.449 . . . . 3.43 111.174 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.464 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.8 OUTLIER -67.75 -43.73 79.19 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.726 -0.67 . . . . 3.81 110.21 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt -80.39 -0.39 36.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.574 -0.739 . . . . 3.86 110.295 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 32.7 t30 73.63 -47.25 0.65 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.578 0.751 . . . . 4.39 110.204 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.932 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 3.4 t80 48.42 70.14 0.48 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.316 -0.857 . . . . 3.22 112.457 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.411 HG13 ' HD2' ' B' ' 49' ' ' PRO . 6.3 tp -76.02 134.28 71.52 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 115.361 -0.836 . . . . 4.29 110.195 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.411 ' HD2' HG13 ' B' ' 48' ' ' ILE . 97.9 Cg_endo -80.62 40.0 0.93 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.894 2.396 . . . . 4.15 112.739 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -83.64 74.84 10.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.625 -0.716 . . . . 5.63 110.899 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.449 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -82.0 -30.82 31.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.55 -0.75 . . . . 8.97 109.786 178.388 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 90.2 m -138.95 102.14 4.47 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.928 0.87 . . . . 6.12 109.303 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.97 110.46 5.69 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 113.839 -1.528 . . . . 7.92 112.12 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -168.54 -70.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.639 -0.709 . . . . 11.04 109.596 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -119.81 -35.77 3.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.184 -0.462 . . . . 12.93 110.493 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 19.3 tp 54.86 75.25 0.31 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.709 -0.678 . . . . 12.29 111.724 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.488 ' HB1' ' HB1' ' A' ' 53' ' ' ALA . . . -78.85 -15.1 58.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.084 -0.507 . . . . 12.46 110.807 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.92 -72.73 2.68 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.098 -0.572 . . . . 14.22 112.616 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -84.8 110.78 19.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.865 0.364 . . . . 16.96 110.697 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -36.97 13.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.067 -0.515 . . . . 18.68 110.171 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.7 m -94.97 114.76 26.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.132 -0.486 . . . . 19.62 109.888 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 48.5 tp . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.384 -0.817 . . . . 21.41 110.269 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.563 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.577 0 O4'-C1'-N19 108.557 0.946 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.403 " H3'" ' N ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O4'-C1'-N19 109.397 1.997 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-N19 109.434 2.042 . . . . 6.08 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O3'-P-O5' 101.087 -1.533 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-N19 108.996 1.494 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O4'-C1'-N19 109.532 2.165 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C1'-N19 109.596 2.244 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-N19 109.23 1.787 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.424 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O3'-P-O5' 100.979 -1.59 . . . . 6.24 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.447 ' C8 ' ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-N19 108.922 1.402 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.585 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-N19 110.062 2.827 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.42 -0.838 0 O3'-P-O5' 99.583 -2.325 . . . . 4.84 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.429 ' C6 ' ' H73' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 O3'-P-O5' 100.265 -1.966 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.429 ' H73' ' C6 ' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 O4'-C1'-N19 109.457 2.072 . . . . 7.65 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C1'-N19 109.324 1.905 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O3'-P-O5' 100.58 -1.8 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O3'-P-O5' 101.48 -1.326 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 N19-C1'-C2' 116.01 1.131 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . 0.41 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.586 0 O4'-C1'-N19 108.527 0.909 . . . . 7.58 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.649 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O4'-C1'-N19 109.461 2.076 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.635 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-N19 110.241 3.051 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.497 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O3'-P-O5' 100.277 -1.959 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . 0.44 ' N7 ' ' C2 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-N19 108.772 1.215 . . . . 7.47 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O4'-C1'-N19 109.498 2.122 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-N19 109.502 2.127 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 O4'-C1'-N19 109.317 1.896 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.405 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O3'-P-O5' 100.636 -1.77 . . . . 6.48 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . 0.405 ' C8 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C1'-N19 108.909 1.386 . . . . 5.24 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-N19 109.78 2.475 . . . . 4.6 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O4'-C1'-N19 109.512 2.14 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 O3'-P-O5' 100.353 -1.919 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 O3'-P-O5' 100.698 -1.738 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 O4'-C1'-N19 109.245 1.807 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O4'-C1'-N19 109.258 1.822 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O3'-P-O5' 101.387 -1.375 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 107.048 0.862 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.407 ' HB3' ' H ' ' A' ' 2' ' ' LYS . 6.2 tpt . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.446 0.165 . . . . 8.46 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.407 ' H ' ' HB3' ' A' ' 1' ' ' MET . 26.0 ttmt -109.63 126.53 28.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.135 -0.32 . . . . 7.55 110.135 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.46 -55.13 0.11 Allowed 'Trans proline' 0 CA--C 1.518 -0.283 0 C-N-CA 122.816 2.344 . . . . 4.58 113.697 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.512 HG12 ' HB2' ' A' ' 8' ' ' ASP . 18.6 t -131.03 144.83 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 122.333 1.063 . . . . 3.82 112.791 -178.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.405 ' N ' HG13 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -118.99 159.09 24.49 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 105.71 -1.959 . . . . 3.76 105.71 176.041 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 1.043 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.3 mt -58.31 -23.17 55.63 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 119.424 -0.91 . . . . 2.85 111.742 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -64.9 -36.64 85.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.591 0.71 . . . . 4.61 110.484 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.512 ' HB2' HG12 ' A' ' 4' ' ' VAL . 14.5 m-20 -65.19 -45.06 86.35 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 114.455 -1.248 . . . . 4.13 110.573 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.521 HG11 ' HE2' ' A' ' 42' ' ' MET . 92.4 t -68.21 -40.62 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 CA-C-O 121.638 0.733 . . . . 2.91 109.207 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HA ' HG13 ' A' ' 20' ' ' VAL . . . -58.95 -48.09 82.78 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.44 -1.254 . . . . 3.39 111.755 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.19 -48.15 68.81 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.363 -0.606 . . . . 5.24 109.363 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.805 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 48.1 t80 -61.53 -28.93 69.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.235 -0.893 . . . . 4.13 111.716 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.431 ' HB1' HG23 ' A' ' 15' ' ' VAL . . . -83.59 -26.82 29.69 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.907 0.861 . . . . 2.89 109.785 -179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.27 35.91 8.51 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.746 -1.115 . . . . 3.45 110.676 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.593 HG21 HG12 ' A' ' 38' ' ' VAL . 4.1 m -139.16 146.74 25.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 114.276 -0.962 . . . . 3.39 109.959 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -56.28 148.23 19.07 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.548 0.69 . . . . 4.52 109.989 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.647 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 70.6 t80 -50.63 -51.45 48.78 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 114.72 -1.127 . . . . 3.95 111.89 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -23.76 59.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.238 -0.892 . . . . 5.71 111.977 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.539 ' O ' HG21 ' A' ' 23' ' ' VAL . 19.0 m -69.58 -63.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.673 -0.24 . . . . 3.86 110.552 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.566 ' O ' ' HB ' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -69.43 -30.11 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.313 -0.403 . . . . 3.01 111.943 -179.024 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.406 ' HA ' HD12 ' A' ' 6' ' ' LEU . 28.9 t -58.24 -47.74 82.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.299 -0.63 . . . . 3.29 109.299 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -70.6 -23.82 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.631 -0.713 . . . . 4.68 109.56 179.389 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.91 HG13 HG21 ' A' ' 38' ' ' VAL . 21.2 t -64.94 -50.94 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.711 -0.848 . . . . 3.04 108.711 178.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -66.96 -21.08 27.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.478 -0.783 . . . . 2.72 111.013 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.643 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 12.4 m-80 -101.25 14.56 31.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.224 0.454 . . . . 3.68 112.224 -178.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.643 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 13.6 mm-40 88.59 98.29 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 O-C-N 124.329 1.018 . . . . 6.64 110.448 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -115.53 127.69 55.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.621 -1.172 . . . . 4.63 111.31 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.4 p -95.12 -38.43 10.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.963 -0.562 . . . . 5.4 111.42 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.418 ' HA ' ' OP2' ' C' ' 2' ' ' ' DG' . 94.5 m-70 -102.22 79.68 1.89 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.075 -0.511 . . . . 6.16 110.758 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -146.97 139.39 19.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.19 -0.913 . . . . 4.47 110.238 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.593 ' HG ' " C3'" ' C' ' 2' ' ' ' DG' . 5.4 m -70.88 164.4 25.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.086 0.469 . . . . 3.8 111.596 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.64 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -63.68 -60.4 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.379 -0.828 . . . . 3.6 110.15 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -49.75 -35.73 23.26 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.879 0.737 . . . . 4.97 111.733 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.707 ' O ' HG11 ' A' ' 38' ' ' VAL . 3.6 m -60.98 -50.74 72.15 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.515 -0.311 . . . . 3.04 111.175 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HA ' HG23 ' A' ' 38' ' ' VAL . 10.9 mtt180 -65.42 -34.19 77.7 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.271 -0.64 . . . . 4.53 109.271 -178.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.64 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 30.7 mt-10 -63.82 -39.49 94.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.252 -0.885 . . . . 3.55 110.924 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HE3' HG11 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -83.53 -36.94 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.984 -0.686 . . . . 3.16 111.578 -179.56 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.91 HG21 HG13 ' A' ' 23' ' ' VAL . 4.5 m -62.19 -46.15 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 108.446 -0.946 . . . . 2.68 108.446 178.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.484 ' N ' HG22 ' A' ' 38' ' ' VAL . 20.7 mt-10 -62.82 -42.2 99.63 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.443 -0.799 . . . . 3.27 109.614 178.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HB1' ' HA ' ' A' ' 37' ' ' LYS . . . -59.81 -55.88 28.68 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.812 -0.81 . . . . 2.9 108.812 178.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.805 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.2 -51.65 51.86 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 113.043 0.757 . . . . 2.89 113.043 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.521 ' HE2' HG11 ' A' ' 9' ' ' VAL . 17.9 ptp -64.41 -31.87 73.25 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.809 -0.356 . . . . 2.88 110.415 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.94 -44.78 63.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.064 0.459 . . . . 3.6 111.049 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 0.8 OUTLIER -68.05 -44.32 76.66 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.772 -0.649 . . . . 4.09 110.611 -179.213 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.4 mt -80.6 -0.32 37.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.644 -0.707 . . . . 4.07 110.405 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t30 73.72 -45.51 0.61 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.571 0.748 . . . . 4.18 110.714 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 1.043 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.2 t80 50.72 65.39 1.48 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 122.006 0.908 . . . . 3.27 111.108 178.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.492 HG13 ' HD2' ' A' ' 49' ' ' PRO . 2.8 tp -91.45 136.92 26.27 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 114.796 -1.093 . . . . 3.99 110.875 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.492 ' HD2' HG13 ' A' ' 48' ' ' ILE . 40.5 Cg_endo -72.27 -59.12 0.06 OUTLIER 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.15 1.9 . . . . 4.1 111.923 178.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -179.84 -108.68 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.076 -0.511 . . . . 5.58 109.9 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.46 9.6 15.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 9.64 110.334 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 84.8 m -73.65 -31.15 63.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.6 -0.727 . . . . 5.87 111.438 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 65.56 -153.16 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.657 -0.701 . . . . 8.15 110.394 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -100.88 -53.0 3.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.998 0.428 . . . . 10.55 110.573 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -107.24 14.63 25.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 13.52 110.653 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.1 tp 59.59 -102.31 0.14 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.486 -0.779 . . . . 12.14 110.87 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.39 37.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.73 0.3 . . . . 14.26 110.969 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.19 -68.23 1.75 Allowed Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.883 -0.675 . . . . 16.04 112.322 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.61 179.1 0.24 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.144 0.577 . . . . 17.98 111.606 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -68.09 99.15 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.629 -0.714 . . . . 19.89 110.2 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -96.61 156.44 16.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.024 -0.535 . . . . 20.57 110.579 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 62' ' ' LEU . 2.6 mm? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.445 -0.343 . . . . 22.18 110.621 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtm . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.854 0.359 . . . . 10.83 110.798 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.462 ' H ' ' ND2' ' B' ' 46' ' ' ASN . 47.4 mtpt -141.92 130.2 11.9 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-N 116.207 -0.452 . . . . 8.7 110.866 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 23.6 Cg_exo -66.05 121.78 9.18 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.162 2.574 . . . . 4.88 111.249 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.686 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 72.2 t -141.91 148.9 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.371 0.605 . . . . 3.44 111.001 -177.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.471 ' O ' HG12 ' B' ' 4' ' ' VAL . 31.6 p -106.59 157.18 17.88 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 105.924 -1.88 . . . . 3.24 105.924 175.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 1.109 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.4 mt -61.03 -21.81 63.96 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 118.088 -1.445 . . . . 2.75 109.243 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -37.48 87.61 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.586 -1.188 . . . . 4.42 110.289 176.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.562 ' CB ' HG11 ' B' ' 4' ' ' VAL . 3.2 m-20 -65.06 -44.6 88.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 114.786 -1.097 . . . . 3.77 109.767 -178.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.538 HG13 ' HE3' ' B' ' 42' ' ' MET . 88.3 t -67.5 -43.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.42 -0.809 . . . . 2.69 109.147 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.481 ' HA ' HG12 ' B' ' 20' ' ' VAL . . . -58.07 -47.15 84.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.1 -1.409 . . . . 3.33 111.128 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -64.7 -49.44 70.9 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.633 -0.712 . . . . 5.21 109.58 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.768 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 41.9 t80 -61.2 -28.64 69.29 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.871 -1.059 . . . . 3.88 111.299 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.473 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -84.1 -26.26 29.1 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.601 0.715 . . . . 2.94 109.619 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.33 30.18 17.26 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.189 -0.914 . . . . 3.68 111.292 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.521 ' HB ' ' CB ' ' B' ' 19' ' ' THR . 17.3 m -139.9 150.19 22.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.268 -0.966 . . . . 3.67 110.853 -176.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -49.26 161.52 0.17 Allowed 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 121.753 0.787 . . . . 4.41 111.208 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.751 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 54.8 t80 -54.4 -68.9 0.15 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.725 -1.125 . . . . 3.82 109.545 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 1.07 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -61.63 -1.37 0.57 Allowed 'General case' 0 CA--C 1.485 -1.538 0 C-N-CA 124.358 1.063 . . . . 5.51 112.055 176.647 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.521 ' CB ' ' HB ' ' B' ' 15' ' ' VAL 0.255 88.9 m -65.8 -59.51 3.81 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 102.339 -3.208 . . . . 4.01 102.339 173.232 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.996 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 2.0 m -77.22 -34.7 21.63 Favored 'Isoleucine or valine' 0 C--N 1.384 2.094 0 O-C-N 125.38 1.675 . . . . 2.96 113.501 175.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 1.07 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 62.1 m -59.72 -37.02 77.75 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.696 -0.627 . . . . 3.31 111.742 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.609 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.1 OUTLIER -66.39 -29.81 70.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.039 -1.467 . . . . 5.7 107.039 177.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 1.054 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 72.8 t -65.87 -51.7 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 114.41 -1.268 . . . . 3.44 108.736 177.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.1 t -68.06 -21.17 26.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 114.548 -1.205 . . . . 3.12 111.883 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.611 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 4.9 m-80 -102.29 19.47 18.69 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 122.283 -0.261 . . . . 4.07 111.17 -177.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.611 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 78.9 mm-40 94.13 86.22 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 124.656 1.223 . . . . 6.22 108.941 177.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 1.054 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -74.26 75.73 1.83 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.459 -1.7 . . . . 4.48 112.615 -177.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 21.0 p -76.91 -18.99 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.967 0.413 . . . . 5.9 110.623 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.627 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 74.5 m-70 -139.17 85.39 2.06 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.339 -0.391 . . . . 6.89 111.475 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' B' ' 27' ' ' ALA . 46.0 t -149.25 153.8 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 115.783 -0.644 . . . . 4.57 109.442 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.532 ' N ' HG11 ' B' ' 30' ' ' VAL . 0.1 OUTLIER -79.29 175.45 10.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.851 0.358 . . . . 4.12 111.213 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -70.23 -63.76 1.02 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.072 -0.513 . . . . 3.55 112.15 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -50.6 -49.99 55.13 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.552 0.575 . . . . 5.39 112.552 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.711 ' O ' HG11 ' B' ' 38' ' ' VAL . 8.4 m -50.91 -46.75 60.84 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.789 -0.641 . . . . 3.3 112.13 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' B' ' 31' ' ' SER . 18.3 mtm180 -62.44 -38.66 90.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.867 0.365 . . . . 4.15 110.235 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 28.1 mt-10 -67.0 -36.54 82.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.54 -0.755 . . . . 2.94 109.841 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -71.23 -46.41 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.727 -0.67 . . . . 3.51 111.316 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.996 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.7 m -68.21 -47.82 76.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.697 -0.229 . . . . 2.65 110.73 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.512 ' N ' HG23 ' B' ' 38' ' ' VAL . 5.6 mt-10 -62.08 -37.08 83.68 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.104 -0.702 . . . . 3.0 109.104 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.62 -55.51 19.78 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 108.463 -0.94 . . . . 2.67 108.463 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.768 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -49.77 -51.0 42.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 113.135 0.791 . . . . 2.68 113.135 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.538 ' HE3' HG13 ' B' ' 9' ' ' VAL . 16.8 ptp -64.57 -32.72 74.49 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.809 -0.357 . . . . 2.74 110.382 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.95 -44.66 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 3.43 111.093 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.402 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -68.45 -43.47 76.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.686 -0.688 . . . . 3.81 110.45 -179.32 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 10.0 mt -80.49 -0.66 38.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.908 -0.587 . . . . 3.86 110.77 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.516 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 1.8 t30 75.21 -46.46 0.59 Allowed 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.767 0.667 . . . . 4.39 110.563 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 1.109 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 2.0 t80 52.86 81.67 0.08 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.654 0.74 . . . . 3.22 111.996 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.516 HG13 ' HD2' ' B' ' 49' ' ' PRO . 1.7 tp -92.98 142.67 25.7 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.278 -0.873 . . . . 4.29 109.752 178.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.516 ' HD2' HG13 ' B' ' 48' ' ' ILE . 48.7 Cg_exo -56.57 115.08 2.22 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.606 2.204 . . . . 4.15 112.238 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -68.27 -62.91 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.912 -0.586 . . . . 5.63 111.425 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -143.72 35.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.576 -0.284 . . . . 8.97 111.023 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 13.2 m 70.47 -67.44 0.24 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.768 -0.651 . . . . 6.12 111.555 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 178.94 149.21 0.23 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.552 0.532 . . . . 7.92 110.481 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.506 ' HB3' ' H ' ' B' ' 55' ' ' GLN . 2.4 tt0 -72.7 -91.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.341 0.591 . . . . 11.04 111.535 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.506 ' H ' ' HB3' ' B' ' 54' ' ' GLN . 1.3 pm0 -89.49 -29.07 19.24 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.597 -0.729 . . . . 12.93 110.853 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.86 -175.74 5.5 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.073 0.463 . . . . 12.29 111.456 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.04 126.51 6.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.51 -0.768 . . . . 12.46 109.411 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.97 135.81 12.93 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.656 -0.783 . . . . 14.22 112.859 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -138.36 91.07 2.52 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.951 -0.388 . . . . 16.96 109.951 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -84.0 -14.45 50.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.113 0.482 . . . . 18.68 110.154 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.7 m -76.46 147.45 37.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.583 -0.735 . . . . 19.62 110.103 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.47 -0.776 . . . . 21.41 110.435 -179.91 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.523 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.612 0 O4'-C1'-N19 108.66 1.075 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.593 " C3'" ' HG ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-N19 109.176 1.72 . . . . 6.38 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.462 H2'' ' H73' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-N19 109.269 1.836 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.462 ' H73' H2'' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O3'-P-O5' 100.725 -1.724 . . . . 5.97 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-N19 108.869 1.336 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-N19 109.547 2.184 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C1'-N19 109.641 2.301 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-N19 109.272 1.84 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . 0.456 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O3'-P-O5' 101.047 -1.554 . . . . 6.24 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.464 ' C8 ' ' H73' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-N19 109.11 1.637 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.464 ' H73' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-N19 110.21 3.012 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.441 ' C6 ' ' H73' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O3'-P-O5' 99.447 -2.396 . . . . 4.84 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.441 ' H73' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 O3'-P-O5' 100.476 -1.855 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.101 0 O4'-C1'-N19 109.257 1.821 . . . . 7.65 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O3'-P-O5' 100.768 -1.701 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O4'-C1'-N19 109.273 1.841 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-N19 108.87 1.337 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 N19-C1'-C2' 115.946 1.091 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.565 0 O4'-C1'-N19 108.575 0.969 . . . . 7.58 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.627 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O4'-C1'-N19 109.71 2.387 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.462 ' OP2' H2'' ' D' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-N19 109.457 2.071 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.418 ' C7 ' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.574 0 O3'-P-O5' 100.556 -1.812 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-N19 108.785 1.232 . . . . 7.47 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-N19 109.613 2.267 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-N19 109.552 2.19 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.077 0 O4'-C1'-N19 109.455 2.069 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.43 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O3'-P-O5' 100.765 -1.702 . . . . 6.48 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . 0.43 ' C8 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-N19 109.007 1.508 . . . . 5.24 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . 0.44 " H2'" ' OH ' ' A' ' 17' ' ' TYR . . . . . . . . 0 O3'--C3' 1.419 -0.907 0 O4'-C1'-N19 109.712 2.39 . . . . 4.6 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.036 0 O4'-C1'-N19 109.7 2.375 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O3'-P-O5' 100.015 -2.097 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-N19 109.221 1.777 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O4'-C1'-N19 109.175 1.719 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C1'-N19 109.232 1.79 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-N19 108.794 1.243 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 N19-C1'-C2' 115.735 0.96 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.253 0.073 . . . . 8.46 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp 70.23 160.55 0.15 Allowed Pre-proline 0 N--CA 1.468 0.442 0 C-N-CA 122.95 0.5 . . . . 7.55 111.342 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.714 ' HG2' HG12 ' A' ' 48' ' ' ILE . 10.9 Cg_endo -94.23 -165.62 0.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.545 2.83 . . . . 4.58 114.049 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.524 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 44.9 t -64.97 150.32 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-N 114.632 -1.167 . . . . 3.82 112.953 -179.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.52 ' N ' HG11 ' A' ' 4' ' ' VAL . 74.9 p -118.49 163.3 16.98 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.76 -1.57 . . . . 3.76 106.76 176.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 1.057 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.4 mt -59.2 -25.1 63.68 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 119.813 -0.755 . . . . 2.85 111.318 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -65.05 -37.8 88.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.668 0.747 . . . . 4.61 110.377 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.486 ' CB ' HG13 ' A' ' 4' ' ' VAL . 19.1 m-20 -65.63 -44.34 86.75 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.344 -1.298 . . . . 4.13 109.807 -178.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.511 HG13 ' HE1' ' A' ' 42' ' ' MET . 87.0 t -68.52 -42.7 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 CA-C-O 121.67 0.748 . . . . 2.91 109.15 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.513 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -56.71 -48.47 77.63 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.437 -1.256 . . . . 3.39 111.4 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.61 -48.81 65.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.015 -0.539 . . . . 5.24 109.839 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.835 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 52.0 t80 -60.27 -29.56 68.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.277 -0.874 . . . . 4.13 111.508 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.459 ' HB3' HG21 ' A' ' 15' ' ' VAL . . . -83.3 -27.52 29.74 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.764 0.792 . . . . 2.89 109.571 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.51 35.12 8.79 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.688 -1.142 . . . . 3.45 110.673 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.58 HG22 HG11 ' A' ' 38' ' ' VAL . 6.2 m -139.27 145.79 26.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 114.245 -0.978 . . . . 3.39 110.136 -179.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.3 m -55.16 150.98 9.99 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.599 0.714 . . . . 4.52 110.397 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.639 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 82.6 t80 -52.53 -52.01 56.86 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.755 -1.112 . . . . 3.95 112.212 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -22.37 66.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.581 -0.736 . . . . 5.71 111.515 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -65.89 -61.53 2.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.976 -0.379 . . . . 3.86 109.976 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.555 ' HB ' ' CG1' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -68.34 -29.15 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 3.01 111.84 -178.87 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -58.03 -44.64 87.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.078 0.466 . . . . 3.29 110.129 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.875 HH11 HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.06 -27.73 63.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.497 0.665 . . . . 4.68 109.253 179.609 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.049 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 54.7 t -67.25 -50.92 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 114.734 -1.121 . . . . 3.04 110.776 -179.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.44 HG13 ' ND2' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -63.9 -18.29 22.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.162 -0.926 . . . . 2.72 111.602 -179.473 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' ND2' HG13 ' A' ' 24' ' ' VAL . 12.2 m-80 -104.0 -12.02 17.06 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.442 0.905 . . . . 3.68 113.442 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.1 -58.1 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.22 0.452 . . . . 6.64 112.22 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 1.049 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . 58.8 51.58 7.41 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.103 0.478 . . . . 4.63 111.435 -178.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -64.01 -53.85 43.55 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.732 -0.667 . . . . 5.4 110.967 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -111.3 80.55 1.32 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.594 0.711 . . . . 6.16 110.115 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.875 HG22 HH11 ' A' ' 22' ' ' ARG . 5.8 t -146.84 151.53 13.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 114.522 -1.217 . . . . 4.47 108.509 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.8 p -83.83 158.42 21.68 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.245 -0.582 . . . . 3.8 110.717 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.616 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -53.79 -55.74 23.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.745 -0.661 . . . . 3.6 112.255 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -49.4 -32.32 11.38 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.61 0.596 . . . . 4.97 112.61 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.699 ' O ' HG13 ' A' ' 38' ' ' VAL . 1.7 m -70.07 -52.2 25.82 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 112.094 0.405 . . . . 3.04 112.094 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.513 ' HG2' HG12 ' A' ' 23' ' ' VAL . 30.4 mtm180 -60.39 -41.5 93.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.995 0.426 . . . . 4.53 110.363 -177.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 31.2 mm-40 -67.42 -31.77 72.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.587 -0.733 . . . . 3.55 110.357 -179.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -72.02 -47.86 48.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 3.16 109.891 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.924 HG22 HG11 ' A' ' 23' ' ' VAL . 2.2 m -63.58 -44.17 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.842 -0.799 . . . . 2.68 108.842 178.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 15.9 mt-10 -57.54 -47.55 81.73 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.106 -0.952 . . . . 3.27 109.857 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.707 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -59.15 -53.35 59.27 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 109.357 -0.609 . . . . 2.9 109.357 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.835 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -53.36 -51.81 61.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 113.34 0.867 . . . . 2.89 113.34 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.519 ' HE1' ' HB3' ' A' ' 42' ' ' MET . 14.6 ptp -65.26 -31.92 73.32 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.933 -0.307 . . . . 2.88 110.273 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.0 -43.78 70.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.811 0.338 . . . . 3.6 110.975 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.707 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 23.6 mm-40 -68.64 -45.39 71.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.23 0.538 . . . . 4.09 111.023 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.8 mt -80.84 2.16 27.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.444 -0.798 . . . . 4.07 111.269 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.525 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 1.8 t-20 75.39 -58.37 0.56 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.326 -0.62 . . . . 4.18 109.326 -178.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 1.057 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 11.6 t80 56.6 110.21 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.643 0.979 . . . . 3.27 113.643 177.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.714 HG12 ' HG2' ' A' ' 3' ' ' PRO . 2.0 pp -90.73 164.9 24.33 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 114.95 -1.023 . . . . 3.99 109.39 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.443 ' HB2' ' H ' ' A' ' 50' ' ' ASN . 26.3 Cg_exo -63.18 -84.56 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.417 2.078 . . . . 4.1 112.421 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.443 ' H ' ' HB2' ' A' ' 49' ' ' PRO . 7.6 t-20 177.94 -71.21 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.981 0.419 . . . . 5.58 110.683 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.444 HH11 " H5'" ' C' ' 12' ' ' ' DC' . 4.2 mtm180 -127.45 33.68 4.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.236 0.541 . . . . 9.64 110.461 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.5 m -144.76 110.11 5.21 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.788 -0.819 . . . . 5.87 108.788 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.25 112.29 0.85 Allowed 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.279 -1.328 . . . . 8.15 112.839 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.43 ' HB2' ' CG ' ' A' ' 49' ' ' PRO . 19.2 mm-40 -145.09 -77.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.848 -0.614 . . . . 10.55 110.357 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.584 ' HG3' ' HA ' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -83.82 54.25 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 13.52 110.809 -179.289 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.5 mt -111.54 15.35 21.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.106 0.479 . . . . 12.14 110.986 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.41 140.04 53.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.914 -0.585 . . . . 14.26 110.262 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.71 -58.81 4.89 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.131 -0.557 . . . . 16.04 112.383 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 tttm 61.57 -138.77 0.51 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.079 0.552 . . . . 17.98 110.469 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 58.44 -136.51 0.9 Allowed 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.071 -0.344 . . . . 19.89 110.071 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 m -92.75 115.55 28.21 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.534 -0.543 . . . . 20.57 109.534 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.0 tp . . . . . 0 N--CA 1.465 0.295 0 O-C-N 123.494 0.496 . . . . 22.18 110.749 -179.076 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.6 ttm . . . . . 0 C--O 1.228 -0.043 0 CA-C-O 121.288 0.566 . . . . 10.83 110.196 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -120.81 92.03 47.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.88 -0.6 . . . . 8.7 110.9 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -81.35 1.34 9.35 Favored 'Trans proline' 0 CA--C 1.513 -0.544 0 C-N-CA 122.681 2.254 . . . . 4.88 112.437 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.506 HG13 ' HB2' ' B' ' 8' ' ' ASP . 56.3 t -138.87 140.57 38.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.842 0.829 . . . . 3.44 110.913 179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.414 ' O ' HG11 ' B' ' 4' ' ' VAL . 33.8 p -107.99 158.79 17.07 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.031 -1.841 . . . . 3.24 106.031 176.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 1.065 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.4 mt -61.43 -20.86 63.58 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 118.604 -1.239 . . . . 2.75 109.677 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.24 -40.27 95.69 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 114.952 -1.022 . . . . 4.42 109.51 177.637 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.506 ' HB2' HG13 ' B' ' 4' ' ' VAL . 24.4 m-20 -61.67 -44.23 97.34 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 114.158 -1.383 . . . . 3.77 109.568 -178.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.531 HG11 ' HE1' ' B' ' 42' ' ' MET . 75.7 t -68.77 -42.36 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.357 -0.838 . . . . 2.69 109.161 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.467 ' HA ' HG13 ' B' ' 20' ' ' VAL . . . -58.5 -46.42 86.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.314 -1.312 . . . . 3.33 111.466 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -49.04 71.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.609 -0.723 . . . . 5.21 109.327 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.816 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.3 t80 -61.65 -27.87 68.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.027 -0.988 . . . . 3.88 111.272 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.434 ' HB1' HG23 ' B' ' 15' ' ' VAL . . . -86.05 -25.39 25.93 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.556 0.693 . . . . 2.94 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.21 31.65 16.33 Favored Glycine 0 CA--C 1.498 -0.997 0 CA-C-N 114.728 -1.124 . . . . 3.68 111.598 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.61 ' HB ' HG22 ' B' ' 19' ' ' THR . 6.9 m -139.54 150.53 22.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.611 -0.795 . . . . 3.67 111.073 -177.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.3 m -50.55 161.46 0.32 Allowed 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 121.896 0.855 . . . . 4.41 111.531 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.705 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 76.0 t80 -57.51 -63.73 1.13 Allowed 'General case' 0 C--O 1.196 -1.742 0 CA-C-N 114.706 -1.134 . . . . 3.82 111.634 -179.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.722 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.8 OUTLIER -62.15 10.47 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 126.294 1.837 . . . . 5.51 110.845 167.044 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.61 HG22 ' HB ' ' B' ' 15' ' ' VAL . 23.4 m -78.98 -65.34 1.01 Allowed 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 104.738 -2.319 . . . . 4.01 104.738 162.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.927 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -76.28 -31.24 20.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 C-N-CA 126.637 1.975 . . . . 2.96 113.463 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.722 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 17.8 t -60.31 -40.29 90.05 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 108.531 -0.914 . . . . 3.31 108.531 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -66.31 -32.23 73.5 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.898 -1.149 . . . . 5.7 107.898 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.882 ' HA ' ' HB1' ' B' ' 27' ' ' ALA . 83.8 t -66.1 -50.9 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 114.108 -1.406 . . . . 3.44 109.687 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.445 ' CG2' ' HE2' ' B' ' 42' ' ' MET . 53.6 t -66.46 -21.52 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.985 -1.007 . . . . 3.12 112.353 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.449 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 2.1 m-80 -90.38 -11.92 39.11 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.628 -0.829 . . . . 4.07 112.32 -176.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.449 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 9.7 pt20 157.94 -42.14 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 O-C-N 124.246 0.966 . . . . 6.22 110.89 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.882 ' HB1' ' HA ' ' B' ' 23' ' ' VAL . . . 58.49 54.74 5.3 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.307 -0.86 . . . . 4.48 112.28 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -25.73 60.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.822 -0.626 . . . . 5.9 110.569 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.775 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 31.1 m-70 -126.99 83.32 2.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.906 -0.588 . . . . 6.89 110.135 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.603 HG23 ' HB2' ' B' ' 27' ' ' ALA . 31.5 t -152.99 153.8 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 116.134 -0.484 . . . . 4.57 110.586 -178.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.514 ' N ' HG11 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -87.32 -175.5 5.29 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.284 -0.416 . . . . 4.12 110.509 178.611 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -72.07 -73.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.967 0.728 . . . . 3.55 112.967 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.435 ' O ' ' HD3' ' B' ' 37' ' ' LYS . 47.7 pttt -43.24 -41.86 4.08 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.68 0.993 . . . . 5.39 113.68 -177.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.666 ' O ' HG12 ' B' ' 38' ' ' VAL . 10.9 m -55.86 -51.02 69.0 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 120.861 -0.336 . . . . 3.3 111.46 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.487 ' HG3' HG12 ' B' ' 23' ' ' VAL . 2.6 ttm180 -59.33 -37.5 77.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.046 -0.525 . . . . 4.15 110.614 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 27.0 mt-10 -67.35 -40.75 85.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.474 -0.785 . . . . 2.94 111.33 -179.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.435 ' HD3' ' O ' ' B' ' 33' ' ' LYS . 7.3 mtpp -71.23 -43.59 67.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.902 -0.59 . . . . 3.51 111.223 -178.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.927 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -66.85 -44.12 89.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.793 -0.447 . . . . 2.65 109.793 179.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.465 ' N ' HG23 ' B' ' 38' ' ' VAL . 7.4 mt-10 -61.92 -37.81 86.09 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.323 -0.621 . . . . 3.0 109.323 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -64.42 -53.21 51.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.854 -0.795 . . . . 2.67 108.854 177.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.816 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.02 -51.36 57.88 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.525 -0.761 . . . . 2.68 112.94 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.531 ' HE1' HG11 ' B' ' 9' ' ' VAL . 15.8 ptp -64.78 -32.0 73.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 121.011 -0.276 . . . . 2.74 110.549 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.09 -42.01 73.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.382 . . . . 3.43 111.049 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.48 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 4.3 mm-40 -69.37 -44.83 70.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.378 0.609 . . . . 3.81 110.853 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 7.6 mt -81.12 2.28 28.1 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.327 -0.851 . . . . 3.86 110.706 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 9.4 t30 74.02 -57.71 0.61 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.538 0.735 . . . . 4.39 109.707 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 1.065 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 14.2 t80 49.21 101.6 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.16 1.171 . . . . 3.22 114.16 177.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.451 ' HA ' ' HD3' ' B' ' 49' ' ' PRO . 0.0 OUTLIER -86.57 121.99 71.98 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.592 -0.892 . . . . 4.29 108.592 177.887 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 48' ' ' ILE . 17.2 Cg_exo -67.8 -142.06 0.01 OUTLIER 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 123.807 3.004 . . . . 4.15 114.733 -178.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -82.4 41.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.528 -0.76 . . . . 5.63 111.922 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.432 ' O ' ' HD2' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -114.2 79.95 1.33 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.391 -0.596 . . . . 8.97 109.391 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.9 103.8 10.3 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-O 122.313 1.054 . . . . 6.12 109.483 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.2 97.56 1.55 Allowed 'General case' 0 C--N 1.298 -1.643 0 CA-C-N 113.094 -1.866 . . . . 7.92 111.013 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -55.64 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.001 -0.545 . . . . 11.04 110.69 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -131.5 -12.37 3.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 12.93 110.78 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 33.3 tp -70.08 -32.62 70.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.224 -0.444 . . . . 12.29 111.355 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . 68.62 -58.82 0.47 Allowed 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.884 0.74 . . . . 12.46 111.712 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.12 23.0 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.907 -0.477 . . . . 14.22 111.907 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -144.42 162.67 35.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.73 0.3 . . . . 16.96 110.517 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -97.15 45.73 1.04 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.32 0.581 . . . . 18.68 110.097 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 49.5 m -156.04 159.46 39.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.472 -0.786 . . . . 19.62 109.458 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.163 -0.923 . . . . 21.41 110.285 -179.609 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . 0.496 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.569 0 O4'-C1'-N19 108.542 0.927 . . . . 7.21 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C1'-N19 109.155 1.694 . . . . 6.38 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-N19 109.019 1.524 . . . . 6.08 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O3'-P-O5' 100.503 -1.84 . . . . 5.97 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O3'-P-O5' 100.466 -1.86 . . . . 7.27 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.418 -1.038 0 O3'-P-O5' 100.349 -1.921 . . . . 7.87 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O3'-P-O5' 100.156 -2.023 . . . . 8.24 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O3'-P-O5' 100.646 -1.765 . . . . 7.64 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O3'-P-O5' 100.074 -2.066 . . . . 6.24 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . 0.405 ' C8 ' ' H71' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 O3'-P-O5' 100.689 -1.743 . . . . 5.2 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . 0.422 H2'' ' OP2' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.067 0 O4'-C1'-N19 109.652 2.315 . . . . 4.57 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.537 " C2'" ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.417 -1.062 0 O3'-P-O5' 98.563 -2.862 . . . . 4.84 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.537 ' H72' " C2'" ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O3'-P-O5' 99.807 -2.207 . . . . 6.08 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.416 ' H73' ' C6 ' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O3'-P-O5' 100.0 -2.105 . . . . 7.65 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O3'-P-O5' 100.084 -2.061 . . . . 8.63 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 O3'-P-O5' 100.606 -1.786 . . . . 9.3 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C1'-N19 108.911 1.389 . . . . 9.29 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 N19-C1'-C2' 115.723 0.952 . . . . 8.65 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' ' DC' . . . . . 0.514 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.631 0 O4'-C1'-N19 108.547 0.934 . . . . 7.58 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' ' DG' . . . . . 0.775 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O4'-C1'-N19 109.208 1.759 . . . . 6.78 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.47 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.018 0 O4'-C1'-N19 109.661 2.326 . . . . 6.41 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.461 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.518 -0.968 0 O3'-P-O5' 99.36 -2.442 . . . . 6.22 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C1'-N19 109.029 1.536 . . . . 7.47 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O3'-P-O5' 100.586 -1.797 . . . . 8.05 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O3'-P-O5' 99.788 -2.217 . . . . 8.35 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.062 0 O3'-P-O5' 100.117 -2.044 . . . . 7.77 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O3'-P-O5' 99.587 -2.323 . . . . 6.48 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.117 0 O3'-P-O5' 100.143 -2.03 . . . . 5.24 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.055 0 O3'-P-O5' 99.552 -2.341 . . . . 4.6 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.113 0 O3'-P-O5' 100.08 -2.063 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.992 0 O3'-P-O5' 99.893 -2.162 . . . . 5.65 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O3'-P-O5' 100.215 -1.992 . . . . 7.24 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O3'-P-O5' 100.3 -1.947 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O3'-P-O5' 100.514 -1.835 . . . . 8.91 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O3'-P-O5' 101.419 -1.359 . . . . 8.94 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 N19-C1'-C2' 115.608 0.88 . . . . 8.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.442 -0.868 0 N-CA-C 105.565 -2.013 . . . . 3.5499999999999998 105.565 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.739 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 1.5 mt -60.1 -22.75 63.17 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 119.152 -1.019 . . . . 2.8500000000000001 110.583 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -65.3 -36.95 85.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.316 -0.856 . . . . 4.3899999999999997 110.255 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.77 -45.11 83.73 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 114.637 -1.165 . . . . 4.1299999999999999 110.121 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.467 HG13 ' HB3' ' A' ' 41' ' ' ALA . 91.9 t -67.29 -39.93 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 108.81 -0.811 . . . . 2.9100000000000001 108.81 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.614 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -59.54 -48.28 82.28 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.372 -1.286 . . . . 3.1400000000000001 111.057 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.65 -50.14 66.08 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.564 -0.744 . . . . 5.2400000000000002 109.61 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.791 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 53.6 t80 -61.44 -27.81 68.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.84 -1.073 . . . . 3.8199999999999998 111.69 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.535 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.31 -27.3 27.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.862 0.839 . . . . 2.8700000000000001 109.435 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.45 35.11 8.84 Favored Glycine 0 N--CA 1.441 -1.016 0 CA-C-N 114.549 -1.205 . . . . 3.2799999999999998 110.809 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.678 HG11 HG23 ' A' ' 34' ' ' THR . 6.4 m -139.55 147.28 24.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 114.242 -0.979 . . . . 3.3900000000000001 110.348 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.2 m -56.1 151.97 11.35 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.578 0.704 . . . . 4.3399999999999999 110.193 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.739 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 83.1 t80 -53.37 -51.07 63.66 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.816 -1.084 . . . . 3.71 112.117 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.401 ' H ' ' HG2' ' A' ' 18' ' ' GLN . 26.4 mm-40 -60.74 -21.22 62.75 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.965 -1.016 . . . . 5.5 111.317 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.7 m -70.11 -62.49 1.36 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.36 -0.382 . . . . 3.6499999999999999 110.434 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -69.46 -29.86 43.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.917 -0.583 . . . . 2.8500000000000001 111.795 -179.078 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.1 t -58.3 -44.82 88.71 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.438 -0.579 . . . . 3.1899999999999999 109.438 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.586 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -71.39 -26.55 62.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.114 -0.698 . . . . 4.4400000000000004 109.114 179.484 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.063 HG11 HG21 ' A' ' 38' ' ' VAL . 42.8 t -66.04 -50.21 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.19 -0.914 . . . . 2.9100000000000001 110.067 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.15 -0.932 . . . . 2.7200000000000002 111.354 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.754 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.8 m . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 120.459 0.171 . . . . 2.8599999999999999 111.2 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 25.1 mtt180 -65.42 -34.3 77.97 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.19 -0.671 . . . . 4.1600000000000001 109.19 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -64.76 -42.67 94.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.086 -0.961 . . . . 3.5499999999999998 111.296 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -37.55 52.41 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.128 -0.629 . . . . 2.8399999999999999 111.613 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.063 HG21 HG11 ' A' ' 23' ' ' VAL . 3.3 m -63.65 -47.39 91.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 108.549 -0.908 . . . . 2.2599999999999998 108.549 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 2.8 mt-10 -60.43 -42.94 97.09 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.618 -0.719 . . . . 3.27 109.407 177.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 44' ' ' GLU . . . -61.46 -56.64 17.95 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.256 -0.646 . . . . 2.8599999999999999 109.256 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.791 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -49.95 -51.58 40.2 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 113.265 0.839 . . . . 2.8900000000000001 113.265 -178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.0 ptp -64.44 -32.07 73.55 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.631 -0.428 . . . . 2.8799999999999999 110.318 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.27 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.413 . . . . 3.6000000000000001 111.162 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 1.4 mt-10 -68.61 -44.31 74.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.635 -0.712 . . . . 4.0899999999999999 110.806 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -80.6 -0.56 38.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.548 . . . . 3.71 110.867 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 1.7 t-20 . . . . . 0 N--CA 1.475 0.799 0 O-C-N 123.704 0.628 . . . . 4.1799999999999997 109.789 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.434 -1.241 0 N-CA-C 104.885 -2.265 . . . . 3.1699999999999999 104.885 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.824 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.1 mt -59.99 -20.37 57.36 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 118.722 -1.191 . . . . 2.5600000000000001 110.59 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -37.2 86.38 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.284 -0.871 . . . . 4.2800000000000002 109.999 177.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -65.44 -44.73 86.4 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 114.067 -1.424 . . . . 3.77 110.472 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.405 HG13 ' N ' ' B' ' 42' ' ' MET . 89.9 t -67.46 -40.13 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 108.634 -0.876 . . . . 2.6800000000000002 108.634 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.547 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -59.96 -46.98 87.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.15 -1.386 . . . . 3.1299999999999999 111.318 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -65.99 -49.46 67.72 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.302 0.572 . . . . 5.21 109.636 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.842 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 42.4 t80 -59.81 -28.18 67.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.065 -0.971 . . . . 3.6200000000000001 111.274 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.417 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -86.66 -26.48 24.32 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.283 -0.636 . . . . 2.9399999999999999 109.283 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.38 33.37 10.52 Favored Glycine 0 CA--C 1.499 -0.932 0 CA-C-N 115.069 -0.969 . . . . 3.6600000000000001 111.212 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.636 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.0 m -139.85 151.4 22.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 114.679 -0.761 . . . . 3.5299999999999998 112.078 -176.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.551 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -51.1 156.59 1.04 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.536 0.684 . . . . 4.3799999999999999 109.755 178.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.824 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 90.4 t80 -56.62 -58.31 8.6 Favored 'General case' 0 CA--C 1.49 -1.363 0 CA-C-N 115.475 -0.784 . . . . 3.6200000000000001 109.373 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.862 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -72.69 7.74 1.79 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 120.393 -0.523 . . . . 5.04 111.571 178.571 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.636 HG21 ' HB ' ' B' ' 15' ' ' VAL . 22.4 m -72.5 -62.62 1.38 Allowed 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 101.996 -3.335 . . . . 3.7799999999999998 101.996 170.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.764 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 0.8 OUTLIER -74.89 -35.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 113.085 -1.871 . . . . 2.9300000000000002 113.604 178.338 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.862 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 73.9 m -60.39 -34.98 74.68 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.167 0.508 . . . . 3.23 110.4 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -33.39 74.64 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.137 -1.431 . . . . 5.4000000000000004 107.137 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.805 HG11 HG21 ' B' ' 38' ' ' VAL . 43.0 t -65.66 -49.84 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.034 -1.439 . . . . 3.1800000000000002 109.387 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 114.847 -1.07 . . . . 3.1200000000000001 111.851 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.47 ' O ' HG22 ' B' ' 38' ' ' VAL . 40.5 mtm-85 . . . . . 0 C--O 1.222 -0.383 0 CA-C-O 121.01 0.433 . . . . 3.9100000000000001 110.758 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -68.07 -32.66 73.16 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.644 -0.707 . . . . 2.9399999999999999 111.256 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -73.5 -44.33 58.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 3.1000000000000001 110.38 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.805 HG21 HG11 ' B' ' 23' ' ' VAL . 2.8 m -68.01 -42.7 85.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.062 -0.718 . . . . 2.3300000000000001 109.062 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 4.6 mt-10 -57.6 -44.15 85.22 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.334 -0.848 . . . . 3.0 109.546 177.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -63.44 -52.03 63.17 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 109.368 -0.605 . . . . 2.6499999999999999 109.368 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.842 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.87 -52.0 58.99 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.345 0.869 . . . . 2.6800000000000002 113.345 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.418 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 15.3 ptp -64.32 -31.8 73.14 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 121.164 -0.214 . . . . 2.7400000000000002 110.508 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.11 -42.42 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 3.4300000000000002 111.229 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 54.3 mm-40 -69.78 -44.89 69.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.432 0.634 . . . . 3.8100000000000001 111.037 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.0 mt . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 115.288 -0.869 . . . . 3.4700000000000002 110.803 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 CA--C 1.502 -0.894 0 N-CA-C 105.711 -1.959 . . . . 3.5499999999999998 105.711 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.611 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.3 mt -59.78 -21.63 61.06 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 118.954 -1.099 . . . . 2.8500000000000001 110.562 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -64.79 -38.78 92.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.273 -0.876 . . . . 4.3899999999999997 110.632 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -64.62 -45.59 86.21 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 114.413 -1.267 . . . . 4.1299999999999999 110.423 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.471 HG13 ' HB3' ' A' ' 41' ' ' ALA . 84.1 t -68.09 -41.48 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 CA-C-N 115.535 -0.757 . . . . 2.9100000000000001 109.092 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.615 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.65 -49.17 77.35 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.422 -1.263 . . . . 3.1400000000000001 111.585 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -67.2 -47.85 69.68 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.729 -0.668 . . . . 5.2400000000000002 109.777 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.782 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 49.3 t80 -61.48 -30.08 70.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.801 -0.636 . . . . 3.8199999999999998 111.445 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -81.63 -27.29 34.21 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.839 0.828 . . . . 2.8700000000000001 109.851 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.06 34.02 9.17 Favored Glycine 0 N--CA 1.44 -1.095 0 CA-C-N 114.629 -1.168 . . . . 3.2799999999999998 110.702 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.851 HG11 HG23 ' A' ' 34' ' ' THR . 4.7 m -139.25 146.83 25.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.143 -1.028 . . . . 3.3900000000000001 110.242 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 m -54.88 151.0 9.18 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.612 0.72 . . . . 4.3399999999999999 110.809 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.611 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 58.1 t80 -52.51 -51.78 57.83 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 114.518 -1.219 . . . . 3.71 111.894 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -24.46 66.65 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.699 -1.137 . . . . 5.5 112.134 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -67.4 -60.86 2.23 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.818 0.342 . . . . 3.6499999999999999 110.861 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.615 HG11 ' HA ' ' A' ' 10' ' ' ALA . 1.4 m -68.02 -28.54 41.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.034 -0.53 . . . . 2.8500000000000001 112.03 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.2 m -55.85 -43.72 77.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.239 0.542 . . . . 3.1899999999999999 109.697 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -70.62 -29.39 65.76 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.581 -0.736 . . . . 4.4400000000000004 109.718 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.949 HG11 HG21 ' A' ' 38' ' ' VAL . 88.9 t -65.41 -44.21 94.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.106 -0.952 . . . . 2.9100000000000001 110.022 -179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.498 0.666 . . . . 2.7200000000000002 109.834 178.53 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.851 HG23 HG11 ' A' ' 15' ' ' VAL . 31.6 m . . . . . 0 N--CA 1.442 -0.841 0 CA-C-O 120.376 0.131 . . . . 2.8599999999999999 111.056 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HG3' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -63.01 -38.43 91.16 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 109.268 -0.642 . . . . 4.1600000000000001 109.268 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -68.63 -34.23 75.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.763 -1.108 . . . . 3.5499999999999998 110.526 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -70.57 -46.39 63.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.841 -0.618 . . . . 2.8399999999999999 110.754 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.949 HG21 HG11 ' A' ' 23' ' ' VAL . 2.3 m -65.43 -44.91 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.478 -0.564 . . . . 2.2599999999999998 109.478 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.57 -41.22 97.08 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.724 -0.671 . . . . 3.27 109.362 178.752 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.57 -56.22 22.27 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.414 -0.958 . . . . 2.8599999999999999 108.414 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.782 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.67 -51.4 49.66 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 113.246 0.832 . . . . 2.8900000000000001 113.246 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.414 ' N ' HG13 ' A' ' 9' ' ' VAL . 16.0 ptp -64.73 -32.39 74.04 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.865 -0.334 . . . . 2.8799999999999999 110.445 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.93 65.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.423 . . . . 3.6000000000000001 111.156 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.09 -44.53 72.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.799 -0.637 . . . . 4.0899999999999999 110.895 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.1 mt -80.97 0.42 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.922 -0.581 . . . . 3.71 110.998 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 N--CA 1.473 0.705 0 C-N-CA 123.601 0.76 . . . . 4.1799999999999997 110.244 -179.132 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.439 -1.014 0 N-CA-C 104.761 -2.311 . . . . 3.1699999999999999 104.761 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.804 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.3 mt -59.16 -21.23 59.06 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.849 -1.14 . . . . 2.5600000000000001 110.452 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.47 -36.34 83.43 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.898 -1.046 . . . . 4.2800000000000002 109.724 177.122 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' B' ' 5' ' ' THR . 37.7 m-20 -65.88 -44.05 86.46 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.423 -1.262 . . . . 3.77 110.101 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' B' ' 42' ' ' MET . 79.7 t -67.58 -41.02 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.923 0.868 . . . . 2.6800000000000002 109.014 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.57 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.8 -47.54 85.86 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.13 -1.396 . . . . 3.1299999999999999 111.376 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.92 -48.65 73.39 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.68 -0.691 . . . . 5.21 109.252 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.826 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.4 t80 -60.87 -27.55 68.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.103 -0.953 . . . . 3.6200000000000001 111.636 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.437 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -86.67 -25.68 24.7 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.51 0.672 . . . . 2.9399999999999999 109.354 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.83 31.14 15.94 Favored Glycine 0 CA--C 1.496 -1.123 0 CA-C-N 115.031 -0.986 . . . . 3.6600000000000001 111.624 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.593 ' HB ' HG21 ' B' ' 19' ' ' THR . 13.5 m -139.89 151.38 21.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.621 -0.79 . . . . 3.5299999999999998 110.395 -176.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -50.82 156.41 0.97 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.475 0.655 . . . . 4.3799999999999999 110.653 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.804 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 59.6 t80 -51.5 -58.67 5.65 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 115.416 -0.811 . . . . 3.6200000000000001 109.315 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.701 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.2 OUTLIER -74.4 8.72 2.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.889 0.852 . . . . 5.04 112.621 179.547 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.593 HG21 ' HB ' ' B' ' 15' ' ' VAL . 52.2 m -74.46 -57.38 3.97 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 102.432 -3.173 . . . . 3.7799999999999998 102.432 173.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.851 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -78.77 -34.68 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 111.995 -2.366 . . . . 2.9300000000000002 113.22 175.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.701 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 20.1 m -64.94 -28.88 69.82 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 120.704 -1.247 . . . . 3.23 109.09 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.662 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 5.8 ttt180 -64.73 -36.01 82.92 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 106.952 -1.499 . . . . 5.4000000000000004 106.952 176.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.786 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 82.8 t -62.72 -52.97 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 113.76 -1.563 . . . . 3.1800000000000002 109.344 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 CA--C 1.541 0.602 0 CA-C-N 115.348 -0.842 . . . . 3.1200000000000001 111.91 178.92 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.517 ' HA ' HG22 ' B' ' 38' ' ' VAL . 22.9 mtm180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 110.071 -0.344 . . . . 3.9100000000000001 110.071 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -65.16 -36.32 83.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.989 -0.551 . . . . 2.9399999999999999 110.385 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -78.43 -43.69 26.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.953 -0.567 . . . . 3.1000000000000001 110.998 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.851 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.5 m -66.7 -45.14 88.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.737 -0.468 . . . . 2.3300000000000001 109.737 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 11.0 mt-10 -59.7 -42.97 94.19 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.06 -0.719 . . . . 3.0 109.06 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.714 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.93 -54.3 43.74 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.151 -0.685 . . . . 2.6499999999999999 109.151 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.826 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.38 -51.54 53.71 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 113.077 0.769 . . . . 2.6800000000000002 113.077 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 17.0 ptp -65.29 -32.79 74.63 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 120.795 -0.362 . . . . 2.7400000000000002 110.271 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.73 -42.45 70.54 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.9 0.381 . . . . 3.4300000000000002 111.546 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.714 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.1 mm-40 -68.76 -44.56 73.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.925 -0.579 . . . . 3.8100000000000001 110.475 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.5 mt . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.432 -0.804 . . . . 3.4700000000000002 110.406 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.438 -1.068 0 N-CA-C 105.809 -1.923 . . . . 3.5499999999999998 105.809 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.675 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 3.1 mt -58.08 -24.36 58.27 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 119.653 -0.819 . . . . 2.8500000000000001 112.056 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -64.87 -36.76 85.4 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.867 0.841 . . . . 4.3899999999999997 110.497 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.58 -46.04 80.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.022 -1.445 . . . . 4.1299999999999999 110.046 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.496 HG13 ' HB3' ' A' ' 41' ' ' ALA . 87.2 t -67.81 -40.88 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 115.339 -0.846 . . . . 2.9100000000000001 109.393 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.563 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.69 -46.86 86.32 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.511 -1.222 . . . . 3.1400000000000001 111.594 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -49.16 64.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.465 0.65 . . . . 5.2400000000000002 109.427 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.767 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.4 t80 -61.79 -27.59 68.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.707 -1.133 . . . . 3.8199999999999998 111.653 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.435 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.62 -27.66 27.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.631 0.729 . . . . 2.8700000000000001 109.573 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.91 34.56 8.86 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 114.85 -1.068 . . . . 3.2799999999999998 110.997 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.781 HG11 HG23 ' A' ' 34' ' ' THR . 4.3 m -139.66 147.05 24.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.391 -0.904 . . . . 3.3900000000000001 110.075 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 m -56.14 149.2 16.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.999 -0.68 . . . . 4.3399999999999999 110.688 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.675 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 76.3 t80 -49.68 -51.03 41.14 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.603 -1.18 . . . . 3.71 112.079 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -23.67 66.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.104 -0.953 . . . . 5.5 111.903 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.8 m -67.1 -61.6 1.85 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.851 0.358 . . . . 3.6499999999999999 110.063 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.563 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.05 -29.05 41.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.888 -0.596 . . . . 2.8500000000000001 111.305 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.3 t -58.77 -41.41 86.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.359 -0.608 . . . . 3.1899999999999999 109.359 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -31.19 68.83 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.754 -0.832 . . . . 4.4400000000000004 108.754 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.992 HG11 HG21 ' A' ' 38' ' ' VAL . 76.8 t -66.69 -50.66 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 114.416 -1.265 . . . . 2.9100000000000001 110.588 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.17 -0.923 . . . . 2.7200000000000002 111.55 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.781 HG23 HG11 ' A' ' 15' ' ' VAL . 10.6 m . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 111.447 0.165 . . . . 2.8599999999999999 111.447 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.45 ' O ' HG22 ' A' ' 38' ' ' VAL . 43.4 mtm180 -64.57 -38.5 91.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.205 0.526 . . . . 4.1600000000000001 109.598 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.38 -33.22 74.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.038 -0.983 . . . . 3.5499999999999998 110.714 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -75.7 -43.87 45.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.98 -0.554 . . . . 2.8399999999999999 110.744 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.992 HG21 HG11 ' A' ' 23' ' ' VAL . 3.0 m -64.55 -46.87 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.325 -0.62 . . . . 2.2599999999999998 109.325 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.7 mt-10 -61.44 -41.13 96.73 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.004 -0.543 . . . . 3.27 109.543 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.31 -57.14 13.54 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 108.637 -0.875 . . . . 2.8599999999999999 108.637 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.767 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.21 -51.3 45.28 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 113.085 0.772 . . . . 2.8900000000000001 113.085 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.436 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.4 ptp -64.16 -32.24 73.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.743 -0.383 . . . . 2.8799999999999999 110.401 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.17 -47.15 52.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.946 0.403 . . . . 3.6000000000000001 110.804 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -66.76 -40.12 88.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.681 -0.691 . . . . 4.0899999999999999 110.117 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.6 mt -81.53 -0.77 43.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 3.71 110.708 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 . . . . . 0 N--CA 1.471 0.586 0 C-N-CA 123.526 0.73 . . . . 4.1799999999999997 111.08 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.437 -1.083 0 N-CA-C 106.017 -1.845 . . . . 3.1699999999999999 106.017 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.843 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.3 mt -58.92 -22.78 60.39 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.164 -1.014 . . . . 2.5600000000000001 110.191 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.49 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.0 OUTLIER -63.66 -37.8 88.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.978 -1.01 . . . . 4.2800000000000002 109.582 177.373 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' B' ' 5' ' ' THR . 2.3 m-20 -67.32 -42.03 84.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.839 -1.528 . . . . 3.77 109.933 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' B' ' 42' ' ' MET . 76.3 t -68.71 -44.17 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 115.318 -0.856 . . . . 2.6800000000000002 109.387 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.46 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.48 -46.83 85.85 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.334 -1.303 . . . . 3.1299999999999999 111.25 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.62 -48.8 73.53 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.484 -0.78 . . . . 5.21 109.525 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.761 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.4 t80 -61.57 -29.01 69.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.148 -0.933 . . . . 3.6200000000000001 111.244 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.45 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -83.26 -26.33 30.8 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.716 0.77 . . . . 2.9399999999999999 109.438 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.45 32.09 12.42 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 114.456 -1.247 . . . . 3.6600000000000001 111.295 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.623 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.3 m -140.09 152.47 21.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.009 -0.595 . . . . 3.5299999999999998 112.203 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -51.06 159.53 0.59 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.6 0.714 . . . . 4.3799999999999999 110.053 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.843 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 75.4 t80 -57.46 -56.63 19.32 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.379 -0.828 . . . . 3.6200000000000001 110.259 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.84 9.66 2.25 Favored 'General case' 0 CA--C 1.487 -1.479 0 CA-C-N 115.5 -0.773 . . . . 5.04 110.661 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.623 HG21 ' HB ' ' B' ' 15' ' ' VAL . 86.2 m -73.59 -57.62 3.87 Favored 'General case' 0 N--CA 1.407 -2.613 0 N-CA-C 101.561 -3.496 . . . . 3.7799999999999998 101.561 172.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.887 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.1 m -78.43 -33.17 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.631 -2.077 . . . . 2.9300000000000002 113.596 177.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -32.12 73.48 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.847 -1.158 . . . . 3.23 110.123 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.0 -32.84 73.52 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.156 -1.424 . . . . 5.4000000000000004 107.156 177.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.812 HG11 HG21 ' B' ' 38' ' ' VAL . 54.5 t -66.03 -52.63 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 113.74 -1.573 . . . . 3.1800000000000002 110.083 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.4 t . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 114.659 -1.155 . . . . 3.1200000000000001 112.175 179.554 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 67.9 mtm-85 . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.874 0.369 . . . . 3.9100000000000001 110.327 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -67.06 -43.14 83.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.579 -0.737 . . . . 2.9399999999999999 110.795 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -70.28 -43.43 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.574 -0.285 . . . . 3.1000000000000001 111.71 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.887 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -67.52 -47.42 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.785 -0.366 . . . . 2.3300000000000001 110.429 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.3 mm-40 -62.99 -37.82 88.68 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.239 -0.652 . . . . 3.0 109.239 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.27 -55.16 37.1 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.292 -1.003 . . . . 2.6499999999999999 108.292 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.761 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.9 -51.64 49.8 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.378 -0.828 . . . . 2.6800000000000002 113.058 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.512 ' HA ' HG22 ' B' ' 9' ' ' VAL . 18.9 ptp -64.23 -32.67 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.908 0.385 . . . . 2.7400000000000002 110.596 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.57 -45.73 61.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.184 -0.462 . . . . 3.4300000000000002 110.936 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.47 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.4 OUTLIER -66.77 -41.95 86.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.626 -0.716 . . . . 3.8100000000000001 111.147 -178.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.9 mt . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 3.4700000000000002 111.289 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 CA--C 1.504 -0.791 0 N-CA-C 106.639 -1.615 . . . . 3.5499999999999998 106.639 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.672 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 1.9 mt -59.6 -23.41 62.94 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 118.838 -1.145 . . . . 2.8500000000000001 110.949 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.63 -38.78 92.16 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.815 0.817 . . . . 4.3899999999999997 110.657 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -65.6 -43.96 88.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.196 -1.365 . . . . 4.1299999999999999 110.612 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.435 HG13 ' HB3' ' A' ' 41' ' ' ALA . 86.8 t -68.12 -40.67 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 108.934 -0.765 . . . . 2.9100000000000001 108.934 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.27 -47.2 84.37 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.269 -1.332 . . . . 3.1400000000000001 111.347 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.5 -50.21 64.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.342 0.591 . . . . 5.2400000000000002 109.64 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.84 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.0 t80 -60.97 -27.8 68.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.96 -1.018 . . . . 3.8199999999999998 111.633 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.6 -27.54 29.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.771 0.796 . . . . 2.8700000000000001 109.591 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.89 33.59 9.68 Favored Glycine 0 N--CA 1.44 -1.067 0 CA-C-N 114.778 -1.101 . . . . 3.2799999999999998 110.893 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.682 HG11 HG23 ' A' ' 34' ' ' THR . 5.8 m -138.16 146.49 26.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.245 -0.977 . . . . 3.3900000000000001 109.883 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.8 m -56.2 150.49 14.16 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.612 0.72 . . . . 4.3399999999999999 110.22 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.672 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 71.6 t80 -51.56 -50.49 59.99 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.591 -1.186 . . . . 3.71 112.351 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.41 ' H ' ' HG2' ' A' ' 18' ' ' GLN . 0.6 OUTLIER -64.35 -20.54 66.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.715 -1.13 . . . . 5.5 111.475 -176.9 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.4 m -69.22 -61.06 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 3.6499999999999999 110.301 178.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.552 HG11 ' HA ' ' A' ' 10' ' ' ALA . 1.1 m -68.34 -28.75 41.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.066 -0.515 . . . . 2.8500000000000001 112.243 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.8 m -55.61 -44.97 77.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.01 0.433 . . . . 3.1899999999999999 110.059 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -28.69 65.27 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.867 -0.606 . . . . 4.4400000000000004 109.476 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.918 HG11 HG21 ' A' ' 38' ' ' VAL . 93.5 t -66.58 -51.0 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.244 -0.889 . . . . 2.9100000000000001 110.04 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.224 -0.898 . . . . 2.7200000000000002 111.631 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.773 ' O ' HG13 ' A' ' 38' ' ' VAL . 87.1 m . . . . . 0 N--CA 1.443 -0.805 0 CA-C-O 120.523 0.202 . . . . 2.8599999999999999 110.822 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -62.58 -34.52 77.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.098 0.475 . . . . 4.1600000000000001 110.036 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -66.92 -42.19 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.439 -0.8 . . . . 3.5499999999999998 111.398 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.518 ' HE3' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -77.84 -37.31 48.74 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 120.628 -0.429 . . . . 2.8399999999999999 111.775 -178.66 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.918 HG21 HG11 ' A' ' 23' ' ' VAL . 4.1 m -62.98 -45.0 99.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 108.494 -0.928 . . . . 2.2599999999999998 108.494 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 5.3 mt-10 -61.67 -43.24 99.23 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.518 -0.764 . . . . 3.27 109.321 178.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.591 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.84 -54.83 40.38 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.03 -0.729 . . . . 2.8599999999999999 109.03 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.84 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.88 -51.79 54.3 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 113.417 0.895 . . . . 2.8900000000000001 113.417 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.1 ptp -64.17 -32.02 73.44 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.781 -0.367 . . . . 2.8799999999999999 110.542 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.71 -44.97 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 3.6000000000000001 111.063 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 5.1 mm-40 -68.08 -43.22 79.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.808 -0.633 . . . . 4.0899999999999999 110.578 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.8 mt -80.46 0.68 32.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.45 -0.795 . . . . 3.71 110.649 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 8.1 t30 . . . . . 0 N--CA 1.47 0.54 0 O-C-N 123.759 0.662 . . . . 4.1799999999999997 110.374 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.436 -1.155 0 N-CA-C 105.219 -2.141 . . . . 3.1699999999999999 105.219 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.845 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -59.47 -23.1 62.44 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 118.68 -1.208 . . . . 2.5600000000000001 110.419 -178.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -35.84 81.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.062 -0.972 . . . . 4.2800000000000002 109.858 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -65.81 -44.7 84.87 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.689 -1.141 . . . . 3.77 110.265 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.479 HG22 ' HA ' ' B' ' 42' ' ' MET . 73.6 t -67.43 -41.12 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.976 0.894 . . . . 2.6800000000000002 108.934 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.492 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.13 -46.4 89.76 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.948 -1.478 . . . . 3.1299999999999999 111.266 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -49.01 71.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.024 -0.732 . . . . 5.21 109.024 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.829 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 36.6 t80 -61.08 -30.88 70.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.395 -0.821 . . . . 3.6200000000000001 111.504 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -81.93 -26.11 34.33 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.679 -0.859 . . . . 2.9399999999999999 108.679 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.12 32.34 12.6 Favored Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 114.124 -1.398 . . . . 3.6600000000000001 111.264 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.776 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.0 m -140.1 152.93 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 CA-C-N 115.374 -0.413 . . . . 3.5299999999999998 111.341 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.494 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.9 m -50.4 158.61 0.57 Allowed 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 122.729 1.252 . . . . 4.3799999999999999 112.273 177.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.845 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 88.6 t80 -54.51 -61.03 2.57 Favored 'General case' 0 CA--C 1.563 1.468 0 CA-C-N 115.311 -0.859 . . . . 3.6200000000000001 110.634 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.865 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 2.0 mp0 -69.9 13.1 0.16 Allowed 'General case' 0 C--O 1.17 -3.11 0 C-N-CA 125.395 1.478 . . . . 5.04 107.695 172.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.776 HG21 ' HB ' ' B' ' 15' ' ' VAL . 20.8 m -77.58 -62.85 1.53 Allowed 'General case' 0 N--CA 1.416 -2.164 1 C-N-CA 110.47 -4.492 . . . . 3.7799999999999998 106.025 168.522 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.791 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -72.98 -29.22 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.212 0 CA-C-N 111.97 -2.377 . . . . 2.9300000000000002 113.352 173.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.865 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 49.3 m -62.81 -34.79 78.03 Favored 'General case' 0 C--O 1.208 -1.119 0 C-N-CA 119.157 -1.017 . . . . 3.23 109.465 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -69.68 -30.17 67.78 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 107.522 -1.288 . . . . 5.4000000000000004 107.522 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.771 HG11 HG21 ' B' ' 38' ' ' VAL . 98.5 t -66.08 -52.77 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-N 114.309 -1.314 . . . . 3.1800000000000002 108.739 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 114.992 -1.004 . . . . 3.1200000000000001 112.002 178.237 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 27.4 mtm180 . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.555 -0.535 . . . . 3.9100000000000001 109.555 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -67.1 -33.93 76.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.43 -0.805 . . . . 2.9399999999999999 110.489 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -70.92 -47.31 59.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.972 -0.558 . . . . 3.1000000000000001 110.285 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.791 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.7 m -68.52 -45.08 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.816 -0.439 . . . . 2.3300000000000001 109.816 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 13.6 mt-10 -60.29 -41.22 92.93 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.645 -0.502 . . . . 3.0 109.645 178.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.579 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -64.81 -51.9 59.69 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.987 -0.746 . . . . 2.6499999999999999 108.987 177.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.829 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.62 -51.66 53.88 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 112.755 0.65 . . . . 2.6800000000000002 112.755 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.479 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.7 ptp -64.66 -32.25 73.83 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.015 -0.274 . . . . 2.7400000000000002 110.36 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.2 -45.02 64.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.363 . . . . 3.4300000000000002 111.252 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 19.4 mm-40 -67.32 -44.51 78.95 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.952 -0.567 . . . . 3.8100000000000001 110.73 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.1 mt . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.567 -0.742 . . . . 3.4700000000000002 110.621 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.2 p . . . . . 0 CA--C 1.505 -0.774 0 N-CA-C 106.276 -1.75 . . . . 3.5499999999999998 106.276 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.61 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.9 mt -59.2 -24.08 62.81 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 119.648 -0.821 . . . . 2.8500000000000001 111.154 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -65.0 -36.9 85.9 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.864 0.84 . . . . 4.3899999999999997 110.292 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -65.7 -44.93 84.65 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 114.18 -1.373 . . . . 4.1299999999999999 109.853 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' A' ' 41' ' ' ALA . 92.7 t -68.78 -42.09 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.534 -0.757 . . . . 2.9100000000000001 109.39 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.657 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.54 -47.46 81.96 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.566 -1.197 . . . . 3.1400000000000001 111.592 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -68.91 -48.6 62.9 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.586 -0.524 . . . . 5.2400000000000002 109.586 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.809 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 54.3 t80 -60.07 -27.21 66.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.473 -0.785 . . . . 3.8199999999999998 111.509 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.94 -28.0 24.56 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.698 0.761 . . . . 2.8700000000000001 109.724 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.44 34.21 8.77 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 114.831 -1.077 . . . . 3.2799999999999998 111.163 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.805 HG11 HG23 ' A' ' 34' ' ' THR . 3.3 m -138.17 147.76 25.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.42 -0.89 . . . . 3.3900000000000001 110.389 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -55.43 147.27 17.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.288 0.566 . . . . 4.3399999999999999 110.595 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.61 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 60.7 t80 -50.47 -51.95 42.56 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.832 -1.076 . . . . 3.71 112.299 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -29.06 67.8 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.985 -1.007 . . . . 5.5 111.758 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.2 m -64.54 -61.32 2.28 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.557 -0.292 . . . . 3.6499999999999999 110.683 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.657 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -68.69 -30.19 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.36 -0.382 . . . . 2.8500000000000001 111.728 -178.778 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.424 ' HA ' HD13 ' A' ' 6' ' ' LEU . 40.2 t -57.96 -47.11 83.88 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.264 -0.643 . . . . 3.1899999999999999 109.264 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -70.08 -27.93 65.01 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.295 -0.866 . . . . 4.4400000000000004 109.642 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.943 HG11 HG21 ' A' ' 38' ' ' VAL . 40.6 t -64.7 -47.88 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.396 -0.82 . . . . 2.9100000000000001 109.236 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.6 t . . . . . 0 C--O 1.234 0.238 0 CA-C-N 115.66 -0.7 . . . . 2.7200000000000002 110.915 179.112 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.805 HG23 HG11 ' A' ' 15' ' ' VAL . 17.9 m . . . . . 0 N--CA 1.443 -0.806 0 CA-C-O 120.487 0.184 . . . . 2.8599999999999999 111.206 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.488 ' O ' HG22 ' A' ' 38' ' ' VAL . 10.9 mtp180 -66.95 -40.27 87.47 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.794 -0.362 . . . . 4.1600000000000001 110.781 -178.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -68.2 -31.77 71.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.201 -0.454 . . . . 3.5499999999999998 109.859 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -72.85 -44.35 61.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.038 -0.528 . . . . 2.8399999999999999 110.555 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.943 HG21 HG11 ' A' ' 23' ' ' VAL . 3.0 m -65.2 -44.53 95.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 108.651 -0.87 . . . . 2.2599999999999998 108.651 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 13.6 mt-10 -59.61 -45.22 92.59 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.369 -0.832 . . . . 3.27 109.42 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.657 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.83 -55.05 37.68 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.175 -0.676 . . . . 2.8599999999999999 109.175 178.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.809 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.16 -52.19 46.45 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 113.371 0.878 . . . . 2.8900000000000001 113.371 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.404 ' HE3' ' O ' ' A' ' 38' ' ' VAL . 15.9 ptp -65.48 -32.18 73.65 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.724 -0.39 . . . . 2.8799999999999999 110.302 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.93 -43.3 68.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.917 0.389 . . . . 3.6000000000000001 111.097 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 10.9 mm-40 -68.53 -44.56 74.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.875 -0.602 . . . . 4.0899999999999999 110.605 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.1 mt -80.77 0.66 33.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.476 -0.784 . . . . 3.71 110.908 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 3.4 t-20 . . . . . 0 N--CA 1.474 0.734 0 O-C-N 123.791 0.682 . . . . 4.1799999999999997 110.096 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 24.3 p . . . . . 0 CA--C 1.502 -0.891 0 N-CA-C 105.844 -1.91 . . . . 3.1699999999999999 105.844 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.798 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -61.25 -20.23 62.59 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 118.588 -1.245 . . . . 2.5600000000000001 109.487 178.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.6 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.1 -38.85 92.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.696 -1.138 . . . . 4.2800000000000002 110.014 176.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' B' ' 5' ' ' THR . 24.9 m-20 -63.66 -43.2 97.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.998 -1.455 . . . . 3.77 109.584 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' B' ' 42' ' ' MET . 82.8 t -68.43 -40.53 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 N-CA-C 108.753 -0.832 . . . . 2.6800000000000002 108.753 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.639 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -59.77 -47.37 85.98 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.155 -1.384 . . . . 3.1299999999999999 111.179 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -64.19 -50.37 68.35 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.338 -0.847 . . . . 5.21 109.552 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.841 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 41.7 t80 -60.14 -28.42 67.88 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.678 -1.146 . . . . 3.6200000000000001 111.359 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.42 -25.99 26.65 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.84 0.828 . . . . 2.9399999999999999 109.239 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.3 33.99 10.01 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 114.29 -1.323 . . . . 3.6600000000000001 111.135 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.676 ' HB ' HG21 ' B' ' 19' ' ' THR . 11.5 m -142.24 151.29 18.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.126 -0.537 . . . . 3.5299999999999998 112.405 -176.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.5 m -50.36 163.3 0.17 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.963 0.887 . . . . 4.3799999999999999 110.152 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.798 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 56.8 t80 -56.68 -57.12 13.78 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 114.676 -1.147 . . . . 3.6200000000000001 110.937 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.642 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 1.2 tp60 -77.6 16.57 0.64 Allowed 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 125.081 1.488 . . . . 5.04 113.916 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.676 HG21 ' HB ' ' B' ' 15' ' ' VAL . 63.4 m -82.02 -58.25 3.05 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 102.565 -3.124 . . . . 3.7799999999999998 102.565 171.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.83 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -77.36 -39.87 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-N 110.1 -3.227 . . . . 2.9300000000000002 112.052 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.642 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 46.6 m -61.57 -31.91 71.97 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.015 -1.053 . . . . 3.23 110.046 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.87 -30.25 66.59 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.13 -1.063 . . . . 5.4000000000000004 108.13 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.74 HG11 HG21 ' B' ' 38' ' ' VAL . 87.7 t -66.05 -51.06 64.58 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 114.836 -1.075 . . . . 3.1800000000000002 108.339 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 CA--C 1.53 0.206 0 CA-C-N 114.669 -1.15 . . . . 3.1200000000000001 111.727 178.688 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.528 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 8.4 mtp180 . . . . . 0 C--O 1.226 -0.16 0 CA-C-O 120.632 0.253 . . . . 3.9100000000000001 110.572 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -66.43 -39.02 88.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.32 0.581 . . . . 2.9399999999999999 110.384 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -70.93 -44.91 65.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.379 -0.828 . . . . 3.1000000000000001 111.243 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.83 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -68.2 -43.88 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.398 -0.365 . . . . 2.3300000000000001 110.081 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -60.03 -41.15 91.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.909 -0.775 . . . . 3.0 108.909 177.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.624 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.43 -53.52 53.7 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.918 -0.771 . . . . 2.6499999999999999 108.918 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.841 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.46 -51.86 51.35 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 113.494 0.924 . . . . 2.6800000000000002 113.494 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.458 ' HA ' HG22 ' B' ' 9' ' ' VAL . 17.3 ptp -65.22 -32.28 73.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.74 0.305 . . . . 2.7400000000000002 110.645 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.95 -42.43 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 3.4300000000000002 111.218 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.1 mm-40 -68.97 -44.46 72.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.286 0.565 . . . . 3.8100000000000001 110.558 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.9 mt . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.319 -0.855 . . . . 3.4700000000000002 111.173 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.5 p . . . . . 0 N--CA 1.442 -0.864 0 N-CA-C 105.989 -1.856 . . . . 3.5499999999999998 105.989 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.653 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 1.9 mt -59.96 -23.84 63.92 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.699 -0.8 . . . . 2.8500000000000001 111.162 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -65.23 -38.04 89.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.605 -0.725 . . . . 4.3899999999999997 110.316 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -65.69 -44.77 85.18 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 114.502 -1.226 . . . . 4.1299999999999999 110.007 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 41' ' ' ALA . 94.3 t -68.42 -40.72 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 0 N-CA-C 108.988 -0.745 . . . . 2.9100000000000001 108.988 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.35 -47.02 85.14 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.639 -1.164 . . . . 3.1400000000000001 111.35 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -69.26 -49.48 55.76 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.612 -0.514 . . . . 5.2400000000000002 109.612 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.834 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.5 t80 -60.07 -27.3 66.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.496 -0.775 . . . . 3.8199999999999998 111.547 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.79 -28.24 24.65 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.528 0.68 . . . . 2.8700000000000001 109.643 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 36.06 8.39 Favored Glycine 0 N--CA 1.439 -1.112 0 CA-C-N 114.915 -1.038 . . . . 3.2799999999999998 111.049 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.915 HG11 HG23 ' A' ' 34' ' ' THR . 5.6 m -139.29 147.39 24.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 114.401 -0.9 . . . . 3.3900000000000001 110.361 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 m -55.86 148.98 15.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.494 0.664 . . . . 4.3399999999999999 110.211 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.653 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.8 t80 -52.62 -51.91 57.85 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.972 -1.013 . . . . 3.71 112.318 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -61.79 -23.12 66.0 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.189 -0.914 . . . . 5.5 111.248 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.1 m -67.75 -60.87 2.19 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.317 -0.401 . . . . 3.6499999999999999 109.946 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.589 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -68.4 -29.09 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.266 -0.424 . . . . 2.8500000000000001 111.378 -179.391 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 t -56.09 -44.41 78.99 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.532 -0.544 . . . . 3.1899999999999999 109.532 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -30.31 66.97 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.349 -0.611 . . . . 4.4400000000000004 109.349 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.845 HG11 HG21 ' A' ' 38' ' ' VAL . 71.6 t -65.56 -47.16 87.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.305 -0.861 . . . . 2.9100000000000001 110.615 -177.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.009 -0.996 . . . . 2.7200000000000002 112.531 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.915 HG23 HG11 ' A' ' 15' ' ' VAL . 64.8 m . . . . . 0 N--CA 1.444 -0.771 0 N-CA-C 111.718 0.266 . . . . 2.8599999999999999 111.718 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.538 ' O ' HG22 ' A' ' 38' ' ' VAL . 6.2 ttm180 -65.24 -45.73 83.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.795 0.331 . . . . 4.1600000000000001 111.054 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -28.82 67.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.082 -0.508 . . . . 3.5499999999999998 110.124 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -69.93 -46.32 65.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.07 -0.514 . . . . 2.8399999999999999 109.815 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.845 HG21 HG11 ' A' ' 23' ' ' VAL . 2.4 m -65.71 -43.99 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.986 -0.746 . . . . 2.2599999999999998 108.986 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.7 mt-10 -59.96 -43.67 94.9 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.17 -0.923 . . . . 3.27 109.968 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -63.08 -52.52 62.35 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.153 -0.684 . . . . 2.8599999999999999 109.153 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.834 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -52.81 -51.92 58.93 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.27 0.841 . . . . 2.8900000000000001 113.27 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.5 ptp -64.6 -31.61 72.91 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.028 -0.269 . . . . 2.8799999999999999 110.395 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.71 -43.75 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 3.6000000000000001 111.088 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 37.2 mm-40 -68.9 -44.86 72.31 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.829 -0.623 . . . . 4.0899999999999999 111.223 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.8 mt -80.59 -0.15 36.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.513 -0.767 . . . . 3.71 110.474 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.8 t30 . . . . . 0 N--CA 1.471 0.61 0 C-N-CA 123.701 0.8 . . . . 4.1799999999999997 110.331 -179.248 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.5 p . . . . . 0 CA--C 1.499 -1.015 0 N-CA-C 105.814 -1.921 . . . . 3.1699999999999999 105.814 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.71 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.5 mt -60.91 -22.14 64.06 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 118.861 -1.136 . . . . 2.5600000000000001 109.403 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.452 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -62.8 -39.8 95.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.738 -1.119 . . . . 4.2800000000000002 109.279 177.583 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.25 -44.33 92.14 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 114.379 -1.282 . . . . 3.77 109.137 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' B' ' 42' ' ' MET . 75.3 t -67.99 -43.34 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.061 -0.972 . . . . 2.6800000000000002 108.932 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.467 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.75 -46.35 84.61 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.295 -1.321 . . . . 3.1299999999999999 111.541 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -49.87 70.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.365 0.602 . . . . 5.21 109.407 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.788 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.0 t80 -61.16 -29.54 69.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.812 -1.086 . . . . 3.6200000000000001 111.444 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.85 -26.97 31.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.149 -0.686 . . . . 2.9399999999999999 109.149 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.22 31.74 16.04 Favored Glycine 0 CA--C 1.498 -0.979 0 CA-C-N 114.75 -1.114 . . . . 3.6600000000000001 111.099 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.636 ' HB ' HG21 ' B' ' 19' ' ' THR . 6.0 m -141.49 148.46 21.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.306 -0.947 . . . . 3.5299999999999998 111.007 -177.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.553 ' HB2' ' OG1' ' B' ' 19' ' ' THR . 4.8 m -47.89 155.06 0.46 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.141 0.496 . . . . 4.3799999999999999 111.066 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.71 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.7 t80 -52.87 -60.97 2.61 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.862 -1.063 . . . . 3.6200000000000001 110.136 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 1.023 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -71.3 3.52 3.6 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 123.8 0.687 . . . . 5.04 111.232 177.76 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.673 ' O ' HG23 ' B' ' 23' ' ' VAL . 52.5 m -71.13 -56.11 6.78 Favored 'General case' 0 N--CA 1.423 -1.779 0 N-CA-C 103.41 -2.811 . . . . 3.7799999999999998 103.41 174.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.782 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 1.4 m -80.21 -32.9 13.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 112.163 -2.289 . . . . 2.9300000000000002 112.858 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' SER . . . . . 1.023 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 41.3 t -62.92 -35.78 81.2 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 120.937 0.399 . . . . 3.23 110.183 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.5 OUTLIER -67.72 -30.52 70.03 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 106.815 -1.55 . . . . 5.4000000000000004 106.815 178.023 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.782 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 98.6 t -66.19 -51.65 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 114.188 -1.369 . . . . 3.1800000000000002 109.332 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 114.541 -1.209 . . . . 3.1200000000000001 112.312 179.537 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.546 ' O ' HG22 ' B' ' 38' ' ' VAL . 6.4 ttm-85 . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.853 0.359 . . . . 3.9100000000000001 111.195 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' B' ' 36' ' ' GLU . 7.4 pt-20 -67.8 -29.56 68.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.041 -0.527 . . . . 2.9399999999999999 110.865 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -72.22 -43.14 64.87 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.252 -0.277 . . . . 3.1000000000000001 110.252 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.77 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.6 m -68.67 -43.5 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.022 -0.733 . . . . 2.3300000000000001 109.022 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.76 -41.09 90.27 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.448 -0.797 . . . . 3.0 109.027 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.646 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.78 -53.28 56.74 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.053 -0.721 . . . . 2.6499999999999999 109.053 177.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.788 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.28 -51.26 55.79 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 113.048 0.758 . . . . 2.6800000000000002 113.048 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.467 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.8 ptp -64.82 -32.32 73.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.246 -0.279 . . . . 2.7400000000000002 110.246 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.34 -43.66 66.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.416 -0.356 . . . . 3.4300000000000002 111.316 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 3.9 mm-40 -69.26 -45.66 69.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.905 -0.589 . . . . 3.8100000000000001 111.173 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.5 mt . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.749 -0.659 . . . . 3.4700000000000002 110.892 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 CA--C 1.507 -0.698 0 N-CA-C 105.197 -2.149 . . . . 3.5499999999999998 105.197 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.658 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.2 mt -60.56 -21.1 62.18 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 118.71 -1.196 . . . . 2.8500000000000001 111.529 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -65.0 -38.44 90.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.637 -0.71 . . . . 4.3899999999999997 111.05 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -65.61 -45.78 81.82 Favored 'General case' 0 CA--C 1.507 -0.673 0 CA-C-N 114.461 -1.245 . . . . 4.1299999999999999 110.785 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 42' ' ' MET . 90.7 t -67.17 -39.41 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-O 121.735 0.778 . . . . 2.9100000000000001 108.916 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -59.45 -46.83 87.66 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.352 -1.294 . . . . 3.1400000000000001 111.148 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -67.35 -49.36 64.36 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.29 -0.633 . . . . 5.2400000000000002 109.29 -178.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.787 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 47.7 t80 -61.24 -30.07 70.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.287 -0.869 . . . . 3.8199999999999998 111.74 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.693 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -81.68 -27.29 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.815 0.817 . . . . 2.8700000000000001 109.485 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.0 34.16 9.09 Favored Glycine 0 N--CA 1.438 -1.177 0 CA-C-N 114.678 -1.146 . . . . 3.2799999999999998 110.305 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.625 HG21 HG12 ' A' ' 38' ' ' VAL . 2.0 m -140.14 146.85 24.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.284 -0.958 . . . . 3.3900000000000001 110.774 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -55.02 149.67 11.53 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.661 0.744 . . . . 4.3399999999999999 110.72 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.658 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 64.0 t80 -49.7 -50.93 41.97 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.328 -1.306 . . . . 3.71 112.285 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -63.04 -27.58 69.51 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.478 -0.783 . . . . 5.5 112.402 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.578 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.5 m -63.08 -61.85 2.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.713 0.292 . . . . 3.6499999999999999 110.826 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.739 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 1.6 m -69.22 -29.33 42.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.393 -0.367 . . . . 2.8500000000000001 111.413 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.2 t -57.97 -45.56 86.53 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.202 -0.666 . . . . 3.1899999999999999 109.202 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.81 -24.04 62.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.583 -0.735 . . . . 4.4400000000000004 110.027 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.82 HG11 HG21 ' A' ' 38' ' ' VAL . 48.0 t -65.55 -51.27 65.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 109.176 -0.676 . . . . 2.9100000000000001 109.176 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.7 t . . . . . 0 CA--C 1.535 0.392 0 CA-C-N 115.321 -0.854 . . . . 2.7200000000000002 110.961 178.745 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.913 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 2.1 m . . . . . 0 N--CA 1.437 -1.123 0 N-CA-C 111.645 0.239 . . . . 2.8599999999999999 111.645 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 12.7 mtm180 -58.76 -46.47 87.41 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.44 -0.345 . . . . 4.1600000000000001 110.417 -178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' A' ' 36' ' ' GLU . 4.1 pt-20 -67.96 -28.84 67.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.867 -0.606 . . . . 3.5499999999999998 111.035 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.913 ' HD2' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -74.6 -41.68 60.01 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.54 -0.541 . . . . 2.8399999999999999 109.54 179.231 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.82 HG21 HG11 ' A' ' 23' ' ' VAL . 2.3 m -68.75 -44.53 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 N-CA-C 108.309 -0.997 . . . . 2.2599999999999998 108.309 177.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.551 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -57.28 -45.28 84.24 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.133 -0.939 . . . . 3.27 109.515 177.637 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.69 -54.81 40.73 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 109.072 -0.714 . . . . 2.8599999999999999 109.072 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.787 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.55 -51.03 51.73 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 113.117 0.784 . . . . 2.8900000000000001 113.117 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.458 ' N ' HG13 ' A' ' 9' ' ' VAL . 15.1 ptp -64.85 -32.07 73.59 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.842 -0.343 . . . . 2.8799999999999999 110.279 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.87 -44.91 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 3.6000000000000001 111.067 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.41 -43.14 74.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.818 -0.628 . . . . 4.0899999999999999 110.729 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -81.22 0.09 38.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.986 -0.552 . . . . 3.71 110.926 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.51 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 3.9 t30 . . . . . 0 N--CA 1.474 0.754 0 O-C-N 123.708 0.63 . . . . 4.1799999999999997 110.624 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.439 -0.995 0 N-CA-C 104.578 -2.379 . . . . 3.1699999999999999 104.578 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.815 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -60.03 -20.63 58.89 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.279 -1.368 . . . . 2.5600000000000001 110.381 -178.877 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.81 -33.93 76.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.78 -1.1 . . . . 4.2800000000000002 110.159 177.249 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 5' ' ' THR . 1.7 m-20 -65.4 -46.3 80.59 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.642 -1.163 . . . . 3.77 109.921 -178.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' B' ' 42' ' ' MET . 95.9 t -67.84 -42.08 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 114.732 -1.122 . . . . 2.6800000000000002 109.323 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.568 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.19 -46.2 86.22 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.216 -1.356 . . . . 3.1299999999999999 111.273 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -49.99 65.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.481 0.658 . . . . 5.21 109.478 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.853 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 35.6 t80 -60.09 -28.83 68.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.956 -1.02 . . . . 3.6200000000000001 111.587 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.97 -26.12 27.33 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.509 0.671 . . . . 2.9399999999999999 109.562 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.49 31.77 15.3 Favored Glycine 0 CA--C 1.497 -1.08 0 CA-C-N 114.697 -1.138 . . . . 3.6600000000000001 111.242 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.697 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.0 m -139.68 149.15 22.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 114.563 -0.819 . . . . 3.5299999999999998 111.303 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.481 ' O ' ' HB ' ' B' ' 19' ' ' THR . 5.6 m -47.82 156.77 0.31 Allowed 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.111 0.481 . . . . 4.3799999999999999 110.891 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.815 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 65.6 t80 -54.98 -56.83 15.38 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.092 -0.958 . . . . 3.6200000000000001 109.591 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.853 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.285 0.0 OUTLIER -76.79 11.04 1.87 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 118.367 -1.333 . . . . 5.04 113.538 177.631 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.697 HG21 ' HB ' ' B' ' 15' ' ' VAL . 27.0 m -72.26 -60.14 2.38 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 102.689 -3.078 . . . . 3.7799999999999998 102.689 172.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.774 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.0 OUTLIER -77.25 -33.58 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.132 0 CA-C-N 111.697 -2.502 . . . . 2.9300000000000002 112.252 178.077 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.853 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 17.9 t -62.93 -33.97 76.47 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.454 -0.943 . . . . 3.23 108.454 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 2.5 ttm180 -69.54 -30.78 68.67 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.498 -1.297 . . . . 5.4000000000000004 107.498 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.828 HG11 HG21 ' B' ' 38' ' ' VAL . 72.3 t -65.19 -51.42 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.3 -1.318 . . . . 3.1800000000000002 108.209 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 CA--C 1.537 0.478 0 CA-C-N 115.344 -0.844 . . . . 3.1200000000000001 111.291 177.907 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 51.8 mtm180 . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 121.22 0.533 . . . . 3.9100000000000001 109.976 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -68.06 -32.42 72.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.138 -0.937 . . . . 2.9399999999999999 110.323 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -71.45 -47.13 57.69 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.93 -0.577 . . . . 3.1000000000000001 110.561 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.828 HG21 HG11 ' B' ' 23' ' ' VAL . 3.0 m -66.74 -43.56 89.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.439 -0.578 . . . . 2.3300000000000001 109.439 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.9 mt-10 -60.13 -43.73 95.45 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.842 -0.617 . . . . 3.0 109.456 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.75 -51.88 65.39 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.012 -0.736 . . . . 2.6499999999999999 109.012 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.853 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.04 -51.39 57.76 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.985 0.735 . . . . 2.6800000000000002 112.985 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.466 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.1 ptp -64.99 -31.76 73.15 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.233 -0.284 . . . . 2.7400000000000002 110.233 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 -45.7 63.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.872 0.368 . . . . 3.4300000000000002 111.282 -178.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 41.1 mm-40 -66.26 -44.61 83.18 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.921 -0.582 . . . . 3.8100000000000001 110.841 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.4 mt . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.309 -0.859 . . . . 3.4700000000000002 110.849 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.9 p . . . . . 0 CA--C 1.504 -0.824 0 N-CA-C 107.416 -1.327 . . . . 3.5499999999999998 107.416 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.682 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.5 mt -59.53 -24.5 63.73 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.435 -0.906 . . . . 2.8500000000000001 110.611 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -65.32 -37.52 87.36 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.784 0.802 . . . . 4.3899999999999997 110.054 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.04 -45.31 85.92 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.076 -1.42 . . . . 4.1299999999999999 109.913 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG13 ' HB3' ' A' ' 41' ' ' ALA . 93.4 t -68.65 -42.06 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 CA-C-N 115.608 -0.724 . . . . 2.9100000000000001 109.179 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.39 -46.85 82.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.628 -1.169 . . . . 3.1400000000000001 111.258 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.6 -49.79 61.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.743 -0.662 . . . . 5.2400000000000002 109.666 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.83 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.1 t80 -61.72 -27.65 68.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.138 -0.937 . . . . 3.8199999999999998 111.549 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.57 -27.41 27.3 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.572 0.701 . . . . 2.8700000000000001 109.77 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.3 35.52 8.72 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 114.792 -1.095 . . . . 3.2799999999999998 110.863 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.732 HG11 HG23 ' A' ' 34' ' ' THR . 3.8 m -139.35 146.06 26.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 114.416 -0.892 . . . . 3.3900000000000001 110.378 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.424 ' O ' ' HB ' ' A' ' 19' ' ' THR . 78.7 p -57.16 145.77 30.22 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.284 -0.567 . . . . 4.3399999999999999 109.998 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.682 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 84.7 t80 -46.53 -51.26 15.83 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.038 -0.983 . . . . 3.71 112.968 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -20.13 65.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.103 -0.499 . . . . 5.5 111.904 -178.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 23' ' ' VAL . 77.8 m -68.93 -61.28 1.86 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.826 -0.435 . . . . 3.6499999999999999 109.826 178.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -68.75 -29.01 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 2.8500000000000001 111.501 -179.482 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -56.98 -45.32 83.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.733 -0.469 . . . . 3.1899999999999999 109.733 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.28 -29.46 66.23 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.275 -0.639 . . . . 4.4400000000000004 109.275 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.035 HG11 HG21 ' A' ' 38' ' ' VAL . 53.7 t -65.95 -49.91 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 114.811 -1.086 . . . . 2.9100000000000001 109.718 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.11 -0.95 . . . . 2.7200000000000002 111.56 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.732 HG23 HG11 ' A' ' 15' ' ' VAL . 4.4 m . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 111.754 0.279 . . . . 2.8599999999999999 111.754 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 38' ' ' VAL . 71.3 mtm-85 -65.02 -37.37 87.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.708 -0.478 . . . . 4.1600000000000001 109.708 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -66.66 -34.16 77.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.57 -0.741 . . . . 3.5499999999999998 109.726 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -73.1 -47.69 42.18 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.496 -0.775 . . . . 2.8399999999999999 110.541 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.035 HG21 HG11 ' A' ' 23' ' ' VAL . 2.8 m -63.87 -46.4 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 109.179 -0.674 . . . . 2.2599999999999998 109.179 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 16.1 mt-10 -58.66 -48.59 80.54 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.468 -0.787 . . . . 3.27 109.81 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.635 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -58.98 -54.21 49.69 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.39 -0.596 . . . . 2.8599999999999999 109.39 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.83 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.6 -52.17 49.71 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 113.421 0.897 . . . . 2.8900000000000001 113.421 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.401 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.6 ptp -65.84 -32.54 74.12 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.511 -0.476 . . . . 2.8799999999999999 110.308 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.83 -44.02 67.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 3.6000000000000001 111.227 -178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.2 mm-40 -68.27 -44.21 76.05 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.818 -0.628 . . . . 4.0899999999999999 110.577 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.6 mt -80.48 0.25 34.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.578 -0.737 . . . . 3.71 110.691 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.475 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 6.3 t30 . . . . . 0 N--CA 1.473 0.68 0 O-C-N 123.722 0.639 . . . . 4.1799999999999997 110.164 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 105.916 -1.883 . . . . 3.1699999999999999 105.916 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.875 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.1 mt -60.11 -21.87 62.08 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.187 -1.405 . . . . 2.5600000000000001 109.922 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -36.16 83.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.761 -1.109 . . . . 4.2800000000000002 109.962 177.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' B' ' 5' ' ' THR . 4.9 m-20 -65.45 -44.04 88.52 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.429 -1.26 . . . . 3.77 109.867 -178.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' B' ' 42' ' ' MET . 96.0 t -67.29 -41.6 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 115.192 -0.913 . . . . 2.6800000000000002 109.254 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.486 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.15 -46.33 90.04 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.189 -1.369 . . . . 3.1299999999999999 111.444 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -65.03 -49.37 70.42 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.193 -0.669 . . . . 5.21 109.193 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.762 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 45.2 t80 -60.4 -28.12 67.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.828 -1.078 . . . . 3.6200000000000001 111.477 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.482 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -86.16 -26.09 25.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.743 0.782 . . . . 2.9399999999999999 109.562 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.64 31.98 16.95 Favored Glycine 0 CA--C 1.5 -0.869 0 CA-C-N 114.582 -1.19 . . . . 3.6600000000000001 111.253 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.696 ' HB ' HG21 ' B' ' 19' ' ' THR . 16.9 m -139.98 150.61 21.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.212 -0.994 . . . . 3.5299999999999998 111.836 -176.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' B' ' 19' ' ' THR . 4.0 m -50.75 151.31 2.47 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.439 0.638 . . . . 4.3799999999999999 110.591 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.875 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.9 t80 -47.91 -58.44 4.39 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.315 -0.857 . . . . 3.6200000000000001 110.666 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.917 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.4 11.58 0.95 Allowed 'General case' 0 C--O 1.245 0.82 0 N-CA-C 113.969 1.099 . . . . 5.04 113.969 -179.106 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.696 HG21 ' HB ' ' B' ' 15' ' ' VAL . 98.9 m -77.51 -63.04 1.47 Allowed 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 102.066 -3.309 . . . . 3.7799999999999998 102.066 173.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 1.035 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.8 OUTLIER -75.63 -30.54 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 112.586 -2.097 . . . . 2.9300000000000002 112.056 176.66 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.917 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 8.6 t -63.69 -37.11 86.12 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.019 -0.734 . . . . 3.23 109.019 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -68.34 -28.31 67.03 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 107.595 -1.261 . . . . 5.4000000000000004 107.595 178.313 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.783 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 69.8 t -65.12 -51.03 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.925 0 CA-C-N 114.429 -1.259 . . . . 3.1800000000000002 108.564 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 CA--C 1.535 0.392 0 CA-C-N 115.295 -0.866 . . . . 3.1200000000000001 111.446 177.776 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 35' ' ' ARG . 16.5 mtm180 . . . . . 0 CA--C 1.513 -0.448 0 CA-C-O 120.98 0.419 . . . . 3.9100000000000001 110.702 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -66.08 -40.04 90.51 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.476 -0.784 . . . . 2.9399999999999999 111.39 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -82.07 -35.96 28.13 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 119.742 -0.783 . . . . 3.1000000000000001 111.995 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 1.035 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 4.4 m -65.25 -46.97 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 109.043 -0.725 . . . . 2.3300000000000001 109.043 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.429 ' N ' HG23 ' B' ' 38' ' ' VAL . 11.6 mt-10 -63.39 -37.16 86.21 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.054 -0.721 . . . . 3.0 109.054 177.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.31 -56.11 25.43 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.086 -1.079 . . . . 2.6499999999999999 108.086 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.762 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.25 -51.22 46.43 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.498 -0.773 . . . . 2.6800000000000002 112.861 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.456 ' HA ' HG22 ' B' ' 9' ' ' VAL . 17.1 ptp -64.62 -32.69 74.45 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.577 -0.449 . . . . 2.7400000000000002 110.265 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.31 -45.86 62.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 3.4300000000000002 111.119 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -41.75 88.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.838 -0.619 . . . . 3.8100000000000001 110.177 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.3 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.588 -0.733 . . . . 3.4700000000000002 110.585 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.438 -1.03 0 N-CA-C 105.975 -1.861 . . . . 3.5499999999999998 105.975 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.685 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.8 mt -58.29 -24.26 58.96 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 119.144 -1.023 . . . . 2.8500000000000001 111.687 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -64.63 -35.86 82.38 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.73 0.776 . . . . 4.3899999999999997 110.553 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -66.12 -46.53 77.24 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 114.469 -1.241 . . . . 4.1299999999999999 110.408 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.55 HG13 ' HB3' ' A' ' 41' ' ' ALA . 95.2 t -67.85 -41.25 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 CA-C-N 115.514 -0.766 . . . . 2.9100000000000001 109.368 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.545 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.74 -46.4 84.53 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.666 -1.152 . . . . 3.1400000000000001 111.32 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -49.96 57.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.929 -0.578 . . . . 5.2400000000000002 109.714 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.828 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 49.7 t80 -61.34 -27.96 68.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.156 -0.929 . . . . 3.8199999999999998 111.673 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.743 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -84.03 -28.51 27.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.621 0.724 . . . . 2.8700000000000001 109.749 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.3 36.4 7.56 Favored Glycine 0 N--CA 1.44 -1.059 0 N-CA-C 110.563 -1.015 . . . . 3.2799999999999998 110.563 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.678 HG11 HG23 ' A' ' 34' ' ' THR . 2.2 m -140.61 147.1 23.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.368 -0.916 . . . . 3.3900000000000001 110.657 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 m -56.01 150.08 14.28 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.652 0.739 . . . . 4.3399999999999999 110.406 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.685 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 78.3 t80 -52.63 -50.2 63.6 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 114.393 -1.276 . . . . 3.71 111.657 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -21.76 64.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.387 -0.824 . . . . 5.5 111.76 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.5 m -70.15 -61.86 1.61 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.776 0.322 . . . . 3.6499999999999999 110.504 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.545 HG11 ' HA ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -69.13 -29.34 42.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.045 -0.525 . . . . 2.8500000000000001 111.831 -179.159 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 t -58.7 -42.63 89.07 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.341 -0.615 . . . . 3.1899999999999999 109.341 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -69.93 -29.9 67.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.014 -0.735 . . . . 4.4400000000000004 109.014 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.965 HG11 HG21 ' A' ' 38' ' ' VAL . 76.8 t -66.47 -49.55 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.725 -1.125 . . . . 2.9100000000000001 110.176 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.019 -0.991 . . . . 2.7200000000000002 111.609 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.996 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 55.3 m . . . . . 0 N--CA 1.442 -0.859 0 N-CA-C 112.426 0.528 . . . . 2.8599999999999999 112.426 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' HG22 ' A' ' 38' ' ' VAL . 20.7 mtm-85 -64.89 -39.55 93.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.402 0.62 . . . . 4.1600000000000001 109.764 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.06 -30.82 70.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.816 -1.084 . . . . 3.5499999999999998 110.497 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.996 ' HD2' ' HA ' ' A' ' 34' ' ' THR . 1.6 ptmt -80.67 -39.74 26.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.567 -0.288 . . . . 2.8399999999999999 110.453 -178.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.965 HG21 HG11 ' A' ' 23' ' ' VAL . 3.6 m -66.71 -47.43 83.09 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 N-CA-C 108.773 -0.825 . . . . 2.2599999999999998 108.773 178.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -61.72 -40.33 94.67 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.948 -0.569 . . . . 3.27 109.838 178.192 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.638 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -62.15 -53.82 49.85 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.914 -0.773 . . . . 2.8599999999999999 108.914 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.828 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.74 -51.46 56.04 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.826 -0.624 . . . . 2.8900000000000001 112.596 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.2 ptp -64.8 -31.86 73.29 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 120.8 -0.36 . . . . 2.8799999999999999 110.204 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.24 66.66 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.0 0.429 . . . . 3.6000000000000001 111.222 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 14.6 mm-40 -69.15 -44.77 71.6 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.944 -0.571 . . . . 4.0899999999999999 110.57 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -80.55 -1.09 40.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.536 -0.756 . . . . 3.71 109.975 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 t30 . . . . . 0 N--CA 1.468 0.433 0 C-N-CA 124.138 0.975 . . . . 4.1799999999999997 111.398 -179.812 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -0.978 0 N-CA-C 106.763 -1.569 . . . . 3.1699999999999999 106.763 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.885 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.5 mt -59.67 -22.7 62.31 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 118.705 -1.198 . . . . 2.5600000000000001 110.077 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.486 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.0 OUTLIER -65.39 -36.3 83.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.85 -1.068 . . . . 4.2800000000000002 109.965 176.692 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' B' ' 5' ' ' THR . 4.6 m-20 -65.9 -43.39 88.37 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.455 -1.248 . . . . 3.77 109.584 -178.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' B' ' 42' ' ' MET . 76.1 t -68.61 -42.74 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-O 121.772 0.796 . . . . 2.6800000000000002 109.075 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.475 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.48 -46.42 83.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.241 -1.345 . . . . 3.1299999999999999 111.819 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.27 -48.56 67.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.243 -0.651 . . . . 5.21 109.243 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.798 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.2 t80 -59.75 -28.66 67.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.996 -1.002 . . . . 3.6200000000000001 111.302 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.412 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -85.01 -26.91 26.77 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.461 0.648 . . . . 2.9399999999999999 109.277 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.56 31.11 16.81 Favored Glycine 0 CA--C 1.498 -1.018 0 CA-C-N 114.764 -1.107 . . . . 3.6600000000000001 111.263 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.674 ' HB ' HG21 ' B' ' 19' ' ' THR . 13.3 m -139.14 149.78 23.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.461 -0.87 . . . . 3.5299999999999998 110.334 -177.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.68 158.92 0.41 Allowed 'General case' 0 C--O 1.25 1.089 0 CA-C-O 121.661 0.744 . . . . 4.3799999999999999 109.762 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.885 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 71.1 t80 -53.25 -60.25 3.54 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-N 114.993 -1.003 . . . . 3.6200000000000001 110.11 -178.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.716 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -75.73 13.89 0.74 Allowed 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 114.642 1.349 . . . . 5.04 114.642 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.689 ' O ' HG23 ' B' ' 23' ' ' VAL . 90.1 m -77.69 -59.32 2.83 Favored 'General case' 0 CA--C 1.49 -1.342 1 N-CA-C 99.851 -4.129 . . . . 3.7799999999999998 99.851 171.316 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.825 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 0.5 OUTLIER -76.31 -33.72 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 112.957 -1.929 . . . . 2.9300000000000002 113.206 176.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.716 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 33.1 t -64.95 -36.35 84.1 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.707 -1.245 . . . . 3.23 109.563 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 2.7 ttm180 -63.47 -33.6 75.91 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 106.927 -1.509 . . . . 5.4000000000000004 106.927 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.894 HG11 HG21 ' B' ' 38' ' ' VAL . 54.8 t -65.31 -51.76 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 113.759 -1.564 . . . . 3.1800000000000002 109.533 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 114.751 -1.113 . . . . 3.1200000000000001 112.442 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 120.892 0.377 . . . . 3.9100000000000001 110.294 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.14 -34.21 77.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.618 -0.719 . . . . 2.9399999999999999 109.912 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -76.16 -44.39 38.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.984 -0.553 . . . . 3.1000000000000001 111.207 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.894 HG21 HG11 ' B' ' 23' ' ' VAL . 3.5 m -67.19 -46.34 84.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 110.117 -0.327 . . . . 2.3300000000000001 110.117 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.69 -37.88 88.2 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.507 -0.553 . . . . 3.0 109.507 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.595 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -63.24 -54.04 43.49 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 108.418 -0.956 . . . . 2.6499999999999999 108.418 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.798 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.43 -51.43 54.9 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.43 -0.804 . . . . 2.6800000000000002 112.794 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.439 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.7 ptp -65.05 -33.08 75.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.75 0.309 . . . . 2.7400000000000002 110.278 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.85 -43.07 69.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.908 0.385 . . . . 3.4300000000000002 111.059 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 7.4 mm-40 -67.74 -43.27 80.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.87 -0.605 . . . . 3.8100000000000001 110.931 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.7 mt . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.768 -0.651 . . . . 3.4700000000000002 110.902 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.775 0 N-CA-C 105.898 -1.89 . . . . 3.5499999999999998 105.898 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 3.7 mt -57.79 -23.43 52.38 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.856 -0.738 . . . . 2.8500000000000001 111.715 -178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -64.57 -38.7 91.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.864 0.84 . . . . 4.3899999999999997 110.293 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -65.72 -44.34 86.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.062 -1.426 . . . . 4.1299999999999999 109.819 -177.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 41' ' ' ALA . 89.5 t -68.62 -42.98 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 CA-C-O 121.537 0.684 . . . . 2.9100000000000001 109.41 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.583 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.06 -47.77 80.17 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.497 -1.229 . . . . 3.1400000000000001 111.529 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.48 -47.9 68.7 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.836 -0.62 . . . . 5.2400000000000002 109.643 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.753 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 55.6 t80 -62.29 -28.32 69.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.298 -0.865 . . . . 3.8199999999999998 111.679 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.06 -27.52 30.21 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.774 0.797 . . . . 2.8700000000000001 109.736 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.91 34.12 9.22 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 114.577 -1.192 . . . . 3.2799999999999998 110.909 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.842 HG11 HG23 ' A' ' 34' ' ' THR . 4.1 m -139.29 147.04 24.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 114.261 -0.97 . . . . 3.3900000000000001 110.178 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -55.45 149.38 13.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.766 0.793 . . . . 4.3399999999999999 110.722 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 65.5 t80 -51.58 -51.18 57.62 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.336 -1.302 . . . . 3.71 112.2 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HB2' HH21 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -62.02 -22.75 65.96 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.981 -1.009 . . . . 5.5 111.989 -179.145 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.2 m -69.93 -60.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.339 0.256 . . . . 3.6499999999999999 110.864 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.624 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 1.3 m -67.98 -28.52 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.414 -0.357 . . . . 2.8500000000000001 111.712 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.5 t -54.97 -45.04 74.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.508 -0.553 . . . . 3.1899999999999999 109.508 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.454 HH21 ' HB2' ' A' ' 18' ' ' GLN . 10.6 mtt180 -70.28 -27.84 64.73 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.801 -0.636 . . . . 4.4400000000000004 109.954 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.863 HG11 HG21 ' A' ' 38' ' ' VAL . 77.1 t -63.02 -48.9 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 115.333 -0.848 . . . . 2.9100000000000001 109.553 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t . . . . . 0 CA--C 1.535 0.371 0 CA-C-O 121.527 0.679 . . . . 2.7200000000000002 109.815 178.143 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.842 HG23 HG11 ' A' ' 15' ' ' VAL . 32.7 m . . . . . 0 N--CA 1.444 -0.727 0 N-CA-C 111.855 0.317 . . . . 2.8599999999999999 111.855 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.5 ' O ' HG22 ' A' ' 38' ' ' VAL . 7.0 mtm180 -61.67 -42.23 98.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.095 0.474 . . . . 4.1600000000000001 110.326 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' A' ' 36' ' ' GLU . 5.5 mm-40 -65.79 -30.07 70.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.186 -0.916 . . . . 3.5499999999999998 109.322 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -73.92 -46.2 45.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.819 -0.628 . . . . 2.8399999999999999 110.083 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.863 HG21 HG11 ' A' ' 23' ' ' VAL . 1.9 m -65.35 -46.35 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 109.286 -0.635 . . . . 2.2599999999999998 109.286 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -59.78 -40.93 89.9 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.271 -0.64 . . . . 3.27 109.271 178.027 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.89 -56.3 22.75 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 108.601 -0.888 . . . . 2.8599999999999999 108.601 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.753 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.53 -51.08 51.03 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 112.798 0.666 . . . . 2.8900000000000001 112.798 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.413 ' HA ' HG22 ' A' ' 9' ' ' VAL . 15.4 ptp -64.9 -32.16 73.74 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.825 -0.35 . . . . 2.8799999999999999 110.412 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.3 -45.34 63.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 3.6000000000000001 110.817 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.71 -42.77 81.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.703 -0.68 . . . . 4.0899999999999999 110.41 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.4 mt -80.59 0.08 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.701 -0.681 . . . . 3.71 110.482 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 123.331 0.652 . . . . 4.1799999999999997 111.008 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.437 -1.093 0 N-CA-C 105.909 -1.886 . . . . 3.1699999999999999 105.909 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.649 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.5 mt -59.24 -21.64 59.87 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.139 -1.025 . . . . 2.5600000000000001 110.251 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.622 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -64.3 -37.84 88.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.84 -1.073 . . . . 4.2800000000000002 109.34 177.065 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' B' ' 5' ' ' THR . 2.3 m-20 -66.44 -42.35 87.8 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.324 -1.307 . . . . 3.77 109.87 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' B' ' 42' ' ' MET . 73.0 t -67.86 -44.16 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 115.344 -0.844 . . . . 2.6800000000000002 108.78 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.527 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.0 -46.19 85.62 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.068 -1.424 . . . . 3.1299999999999999 111.368 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -63.71 -49.53 72.71 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.264 -0.643 . . . . 5.21 109.264 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.798 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.4 t80 -61.44 -27.28 68.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.874 -1.057 . . . . 3.6200000000000001 111.19 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -27.15 25.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.436 0.636 . . . . 2.9399999999999999 109.413 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.15 33.34 10.83 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 114.747 -1.115 . . . . 3.6600000000000001 111.553 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.618 ' HB ' HG21 ' B' ' 19' ' ' THR . 9.5 m -142.24 151.13 18.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 118.781 -0.628 . . . . 3.5299999999999998 111.726 -176.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' B' ' 19' ' ' THR . 26.5 p -54.63 160.53 1.79 Allowed 'General case' 0 C--N 1.346 0.456 0 CA-C-O 121.972 0.891 . . . . 4.3799999999999999 111.495 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.649 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 69.3 t80 -52.25 -58.41 6.71 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 114.432 -1.258 . . . . 3.6200000000000001 109.408 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.604 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 1.5 tp-100 -73.81 5.95 3.66 Favored 'General case' 0 N--CA 1.432 -1.338 0 O-C-N 123.902 0.751 . . . . 5.04 111.64 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.618 HG21 ' HB ' ' B' ' 15' ' ' VAL . 19.3 m -71.69 -63.24 1.17 Allowed 'General case' 0 C--N 1.303 -1.452 1 N-CA-C 99.68 -4.193 . . . . 3.7799999999999998 99.68 169.516 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.775 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.7 OUTLIER -77.3 -32.83 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 N-CA-C 116.42 2.007 . . . . 2.9300000000000002 116.42 179.241 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.604 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 12.1 t -62.45 -32.6 73.5 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.519 -0.919 . . . . 3.23 108.519 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -68.3 -30.71 69.77 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.055 -1.461 . . . . 5.4000000000000004 107.055 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.742 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 92.7 t -65.48 -51.17 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.194 0 CA-C-N 114.042 -1.435 . . . . 3.1800000000000002 108.24 177.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 CA--C 1.538 0.489 0 CA-C-N 114.845 -1.07 . . . . 3.1200000000000001 112.381 178.343 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.44 ' HA ' HG22 ' B' ' 38' ' ' VAL . 25.8 mtm-85 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.905 0.383 . . . . 3.9100000000000001 111.174 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -65.64 -33.3 75.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.678 -0.692 . . . . 2.9399999999999999 111.151 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -80.38 -43.64 20.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.34 -0.391 . . . . 3.1000000000000001 110.76 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.775 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.5 m -68.59 -46.89 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 2.3300000000000001 110.673 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.407 ' N ' HG23 ' B' ' 38' ' ' VAL . 19.3 mt-10 -62.53 -37.48 86.23 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.098 -0.704 . . . . 3.0 109.098 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.616 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.73 -53.03 60.58 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.587 -0.894 . . . . 2.6499999999999999 108.587 177.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.798 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.79 -51.92 52.84 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 113.042 0.756 . . . . 2.6800000000000002 113.042 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.438 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.7 ptp -64.4 -32.1 73.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.598 0.237 . . . . 2.7400000000000002 110.413 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.78 -44.39 66.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.427 -0.352 . . . . 3.4300000000000002 111.199 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 5.0 mm-40 -66.68 -44.04 82.83 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.35 0.595 . . . . 3.8100000000000001 110.452 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.439 -0.8 . . . . 3.4700000000000002 109.937 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 CA--C 1.502 -0.885 0 N-CA-C 106.761 -1.57 . . . . 3.5499999999999998 106.761 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.647 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.5 mt -59.79 -24.4 64.09 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 119.427 -0.909 . . . . 2.8500000000000001 110.889 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -65.08 -38.61 91.33 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.35 -0.841 . . . . 4.3899999999999997 110.465 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -64.86 -45.99 83.74 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 114.107 -1.406 . . . . 4.1299999999999999 110.245 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 41' ' ' ALA . 94.4 t -68.39 -40.67 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-O 121.504 0.669 . . . . 2.9100000000000001 109.405 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.647 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.77 -48.35 79.91 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.541 -1.209 . . . . 3.1400000000000001 111.338 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -66.81 -49.66 65.08 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.803 -0.635 . . . . 5.2400000000000002 109.563 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.793 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 58.6 t80 -61.54 -27.53 68.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.036 -0.983 . . . . 3.8199999999999998 111.75 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.473 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.81 -26.95 29.14 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.693 0.759 . . . . 2.8700000000000001 109.608 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.67 34.05 9.55 Favored Glycine 0 N--CA 1.437 -1.281 0 CA-C-N 114.576 -1.193 . . . . 3.2799999999999998 110.768 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.707 HG11 HG23 ' A' ' 34' ' ' THR . 4.4 m -138.72 145.52 27.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.379 -0.91 . . . . 3.3900000000000001 109.867 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 m -55.93 147.52 19.34 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.506 0.669 . . . . 4.3399999999999999 110.441 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.647 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 76.7 t80 -49.92 -50.54 45.94 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.717 -1.129 . . . . 3.71 111.736 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.76 -25.3 64.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.215 -0.902 . . . . 5.5 111.832 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -68.7 -61.38 1.84 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.431 -0.35 . . . . 3.6499999999999999 110.573 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.647 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -68.89 -29.47 43.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.166 -0.47 . . . . 2.8500000000000001 111.498 -179.386 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.492 ' HA ' HD13 ' A' ' 6' ' ' LEU . 48.3 t -59.22 -40.96 87.46 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.046 -0.724 . . . . 3.1899999999999999 109.046 177.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -30.4 67.45 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.379 -0.828 . . . . 4.4400000000000004 108.82 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.945 HG11 HG21 ' A' ' 38' ' ' VAL . 53.8 t -67.59 -51.03 55.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.807 -1.088 . . . . 2.9100000000000001 110.983 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.179 -0.918 . . . . 2.7200000000000002 111.956 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.707 HG23 HG11 ' A' ' 15' ' ' VAL . 9.5 m . . . . . 0 N--CA 1.44 -0.929 0 N-CA-C 111.318 0.118 . . . . 2.8599999999999999 111.318 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.516 ' O ' HG22 ' A' ' 38' ' ' VAL . 22.4 mtm180 -65.54 -37.84 87.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.377 0.608 . . . . 4.1600000000000001 109.433 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -68.37 -30.29 69.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.096 -0.956 . . . . 3.5499999999999998 110.324 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -76.08 -45.91 31.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 2.8399999999999999 110.171 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.945 HG21 HG11 ' A' ' 23' ' ' VAL . 3.1 m -62.71 -44.59 99.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 108.791 -0.818 . . . . 2.2599999999999998 108.791 178.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 1.5 mt-10 -62.26 -43.22 99.33 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.528 -0.76 . . . . 3.27 110.119 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.09 62.03 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.781 -0.822 . . . . 2.8599999999999999 108.781 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.793 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -53.06 -51.45 61.73 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.235 -0.893 . . . . 2.8900000000000001 112.779 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.0 ptp -64.53 -31.84 73.23 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.882 -0.327 . . . . 2.8799999999999999 110.41 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.54 -43.38 69.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.016 0.436 . . . . 3.6000000000000001 110.934 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.531 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 12.2 mm-40 -69.22 -44.01 72.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.802 -0.635 . . . . 4.0899999999999999 110.741 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.2 mt -80.94 0.53 34.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.535 -0.757 . . . . 3.71 110.814 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 8.1 t30 . . . . . 0 N--CA 1.471 0.59 0 C-N-CA 123.402 0.681 . . . . 4.1799999999999997 110.605 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 N--CA 1.437 -1.097 0 N-CA-C 104.951 -2.24 . . . . 3.1699999999999999 104.951 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.675 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.5 mt -60.42 -20.58 60.23 Favored 'General case' 0 C--N 1.307 -1.256 0 C-N-CA 119.003 -1.079 . . . . 2.5600000000000001 109.78 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.635 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -64.17 -36.53 84.35 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.995 -1.002 . . . . 4.2800000000000002 110.127 177.456 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.97 -44.69 88.53 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 114.738 -1.119 . . . . 3.77 109.447 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' B' ' 42' ' ' MET . 72.9 t -67.84 -41.83 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 CA-C-N 114.985 -1.007 . . . . 2.6800000000000002 108.9 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.539 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.48 -48.08 80.16 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.027 -1.442 . . . . 3.1299999999999999 111.665 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.15 -49.14 73.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.63 0.729 . . . . 5.21 109.218 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.765 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 43.2 t80 -60.82 -28.82 69.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.558 -1.201 . . . . 3.6200000000000001 111.589 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.38 -25.14 27.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.622 0.725 . . . . 2.9399999999999999 109.337 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.36 31.46 13.79 Favored Glycine 0 CA--C 1.501 -0.798 0 CA-C-N 114.366 -1.288 . . . . 3.6600000000000001 111.809 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.614 ' HB ' HG21 ' B' ' 19' ' ' THR . 6.6 m -139.85 151.8 22.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.784 -0.708 . . . . 3.5299999999999998 111.578 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 27.2 p -53.21 160.98 0.97 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.399 0.545 . . . . 4.3799999999999999 110.063 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.675 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 69.8 t80 -52.1 -59.44 4.37 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.074 -0.966 . . . . 3.6200000000000001 109.689 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.799 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -73.09 13.06 0.45 Allowed 'General case' 0 C--O 1.245 0.858 0 CA-C-N 114.824 -1.08 . . . . 5.04 113.369 178.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.614 HG21 ' HB ' ' B' ' 15' ' ' VAL . 55.2 m -79.07 -61.6 1.96 Allowed 'General case' 0 N--CA 1.398 -3.047 0 N-CA-C 100.695 -3.817 . . . . 3.7799999999999998 100.695 170.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -77.05 -33.14 20.09 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 CA-C-N 112.019 -2.355 . . . . 2.9300000000000002 113.08 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.799 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 66.1 m -63.13 -35.32 79.88 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 120.693 -1.254 . . . . 3.23 109.175 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.53 -31.74 72.65 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.852 -1.166 . . . . 5.4000000000000004 107.852 177.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.827 HG11 HG21 ' B' ' 38' ' ' VAL . 65.9 t -66.11 -51.63 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 114.013 -1.449 . . . . 3.1800000000000002 109.135 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 114.712 -1.131 . . . . 3.1200000000000001 112.219 179.448 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 25.3 mtm180 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.876 0.369 . . . . 3.9100000000000001 110.717 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.05 -34.7 78.26 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.43 -0.805 . . . . 2.9399999999999999 111.331 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -77.21 -42.57 36.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.184 -0.462 . . . . 3.1000000000000001 111.072 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -68.73 -45.26 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.798 -0.445 . . . . 2.3300000000000001 109.798 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.554 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.7 OUTLIER -58.99 -39.44 81.81 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.315 -0.624 . . . . 3.0 109.315 177.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.64 -54.98 27.27 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.168 -0.678 . . . . 2.6499999999999999 109.168 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.765 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.95 -51.03 56.52 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.482 -0.781 . . . . 2.6800000000000002 112.853 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.492 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.6 ptp -64.54 -32.15 73.67 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 121.187 -0.205 . . . . 2.7400000000000002 110.673 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.63 -43.32 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 3.4300000000000002 110.911 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.424 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -68.21 -43.85 77.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.746 -0.661 . . . . 3.8100000000000001 110.792 -179.333 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.5 mt . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.532 -0.758 . . . . 3.4700000000000002 110.973 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 p . . . . . 0 CA--C 1.502 -0.867 0 N-CA-C 107.402 -1.332 . . . . 3.5499999999999998 107.402 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.655 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 3.3 mt -59.92 -25.64 65.31 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.185 -1.006 . . . . 2.8500000000000001 111.165 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -65.52 -37.46 86.84 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.99 0.9 . . . . 4.3899999999999997 110.158 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -65.2 -45.16 85.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.805 -1.543 . . . . 4.1299999999999999 110.456 -177.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 41' ' ' ALA . 91.7 t -68.78 -41.61 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 N-CA-C 109.112 -0.699 . . . . 2.9100000000000001 109.112 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.639 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.49 -46.99 83.09 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.356 -1.293 . . . . 3.1400000000000001 111.63 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -67.71 -48.97 65.01 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.887 -0.597 . . . . 5.2400000000000002 109.729 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.752 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.8 t80 -61.22 -30.07 70.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.109 -0.951 . . . . 3.8199999999999998 111.899 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.502 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -82.13 -27.42 32.79 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.757 0.789 . . . . 2.8700000000000001 109.781 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.55 34.52 9.25 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 114.611 -1.177 . . . . 3.2799999999999998 110.707 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.794 HG11 HG23 ' A' ' 34' ' ' THR . 4.7 m -138.65 147.22 25.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 114.314 -0.943 . . . . 3.3900000000000001 110.39 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.5 m -56.16 150.06 14.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.676 0.75 . . . . 4.3399999999999999 110.801 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.655 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 73.6 t80 -51.74 -50.62 60.25 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.643 -1.162 . . . . 3.71 112.657 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' HG3' ' H ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -63.69 -20.48 65.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.962 -0.563 . . . . 5.5 111.65 -178.735 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.0 m -69.07 -62.04 1.54 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.854 0.359 . . . . 3.6499999999999999 110.361 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.639 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.17 -29.05 41.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 2.8500000000000001 111.289 -179.381 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 t -59.38 -43.97 92.83 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.835 -0.802 . . . . 3.1899999999999999 108.835 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -69.19 -27.53 65.59 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.463 -0.789 . . . . 4.4400000000000004 109.057 179.038 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.065 HG11 HG21 ' A' ' 38' ' ' VAL . 55.5 t -65.92 -48.79 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 114.981 -1.009 . . . . 2.9100000000000001 109.656 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 121.494 0.664 . . . . 2.7200000000000002 110.173 179.069 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.794 HG23 HG11 ' A' ' 15' ' ' VAL . 8.5 m . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 112.202 0.445 . . . . 2.8599999999999999 112.202 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 18.9 mtm180 -63.65 -37.38 87.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.27 -0.641 . . . . 4.1600000000000001 109.27 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -67.79 -36.17 79.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.214 -0.903 . . . . 3.5499999999999998 109.915 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -71.06 -46.27 62.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.746 -0.661 . . . . 2.8399999999999999 110.977 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.065 HG21 HG11 ' A' ' 23' ' ' VAL . 3.7 m -65.42 -47.03 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.783 -0.451 . . . . 2.2599999999999998 109.783 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.43 -39.85 94.68 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.313 -0.625 . . . . 3.27 109.313 178.645 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.2 -57.49 12.24 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 108.132 -1.062 . . . . 2.8599999999999999 108.132 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.752 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.37 -51.2 47.97 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.783 -0.644 . . . . 2.8900000000000001 112.648 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.414 ' HG2' ' HA ' ' A' ' 39' ' ' GLU . 17.0 ptp -64.99 -32.42 74.13 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.59 -0.444 . . . . 2.8799999999999999 110.272 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.88 -45.64 60.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.986 0.422 . . . . 3.6000000000000001 111.015 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -42.86 84.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.814 -0.63 . . . . 4.0899999999999999 110.186 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.7 mt -81.31 -0.14 39.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 3.71 110.58 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 123.541 0.737 . . . . 4.1799999999999997 110.692 -179.425 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.56 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.441 -0.915 0 N-CA-C 106.914 -1.513 . . . . 3.1699999999999999 106.914 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.775 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.7 mt -59.84 -23.7 63.58 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 118.81 -1.156 . . . . 2.5600000000000001 109.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -36.4 83.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.578 -1.192 . . . . 4.2800000000000002 109.297 176.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' B' ' 5' ' ' THR . 0.7 OUTLIER -65.79 -44.1 86.72 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 113.787 -1.552 . . . . 3.77 109.715 -178.245 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' B' ' 42' ' ' MET . 84.8 t -68.75 -43.16 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 CA-C-N 115.351 -0.84 . . . . 2.6800000000000002 108.851 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.545 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.38 -46.88 82.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.23 -1.35 . . . . 3.1299999999999999 111.413 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.08 -49.63 66.91 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.845 -0.616 . . . . 5.21 109.582 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.841 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 43.9 t80 -60.26 -27.02 66.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.046 -0.979 . . . . 3.6200000000000001 111.263 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.77 -27.56 22.25 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.513 0.673 . . . . 2.9399999999999999 109.52 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.92 34.31 10.1 Favored Glycine 0 CA--C 1.496 -1.103 0 CA-C-N 114.878 -1.056 . . . . 3.6600000000000001 111.406 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.627 ' HB ' HG21 ' B' ' 19' ' ' THR . 7.0 m -139.67 149.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 114.455 -0.872 . . . . 3.5299999999999998 110.892 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' B' ' 19' ' ' THR . 2.7 m -48.47 161.73 0.12 Allowed 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.73 0.776 . . . . 4.3799999999999999 111.04 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.775 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 78.3 t80 -59.78 -65.13 0.73 Allowed 'General case' 0 C--O 1.251 1.146 0 CA-C-O 117.854 -1.07 . . . . 3.6200000000000001 109.787 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.989 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -64.02 10.54 0.05 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 119.589 -0.844 . . . . 5.04 111.549 171.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.824 HG23 HH21 ' B' ' 22' ' ' ARG . 28.6 m -73.22 -61.15 1.92 Allowed 'General case' 0 N--CA 1.39 -3.433 0 N-CA-C 101.768 -3.419 . . . . 3.7799999999999998 101.768 170.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.798 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.6 m -76.59 -32.82 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 113.88 -1.509 . . . . 2.9300000000000002 113.658 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.989 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 41.7 t -61.18 -38.13 85.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.019 0.437 . . . . 3.23 110.654 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.824 HH21 HG23 ' B' ' 19' ' ' THR . 0.0 OUTLIER -65.27 -31.59 72.81 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.213 -1.032 . . . . 5.4000000000000004 108.213 177.758 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.79 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 54.9 t -65.51 -51.59 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 CA-C-N 114.038 -1.437 . . . . 3.1800000000000002 108.155 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 N--CA 1.469 0.509 0 CA-C-N 114.682 -1.144 . . . . 3.1200000000000001 112.573 178.721 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.545 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 49.8 mtm-85 . . . . . 0 CA--C 1.518 -0.285 0 CA-C-O 120.955 0.407 . . . . 3.9100000000000001 110.206 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.52 -29.75 69.91 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.47 -0.786 . . . . 2.9399999999999999 110.741 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -82.33 -42.93 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.541 . . . . 3.1000000000000001 110.812 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.798 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.3 m -68.12 -45.09 83.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.769 -0.456 . . . . 2.3300000000000001 109.769 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.545 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 4.0 mt-10 -60.69 -42.07 96.42 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.273 -0.64 . . . . 3.0 109.273 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.727 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.78 -53.93 49.25 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.904 -0.776 . . . . 2.6499999999999999 108.904 177.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.841 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.41 -51.67 52.74 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.107 0.78 . . . . 2.6800000000000002 113.107 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.447 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.7 ptp -64.45 -33.14 75.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.729 0.299 . . . . 2.7400000000000002 110.516 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 -42.95 68.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.063 0.459 . . . . 3.4300000000000002 111.226 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.727 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.7 mm-40 -68.19 -44.08 76.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.806 -0.633 . . . . 3.8100000000000001 111.112 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 10.7 mt . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.529 -0.76 . . . . 3.4700000000000002 110.991 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 CA--C 1.501 -0.931 0 N-CA-C 106.872 -1.529 . . . . 3.5499999999999998 106.872 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.638 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 3.6 mt -59.82 -24.52 64.24 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.464 -0.894 . . . . 2.8500000000000001 111.127 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.94 -37.39 87.48 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.973 0.892 . . . . 4.3899999999999997 110.173 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -65.13 -46.04 82.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.792 -1.549 . . . . 4.1299999999999999 110.058 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 41' ' ' ALA . 93.0 t -69.15 -41.79 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-O 121.682 0.753 . . . . 2.9100000000000001 109.501 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.59 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.55 -46.69 83.6 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.536 -1.211 . . . . 3.1400000000000001 111.622 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.45 -49.36 63.99 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.392 0.615 . . . . 5.2400000000000002 109.812 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.837 ' HD2' ' HA ' ' A' ' 41' ' ' ALA . 48.1 t80 -61.4 -27.38 68.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.764 -1.107 . . . . 3.8199999999999998 111.739 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.07 -28.0 25.93 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.673 0.749 . . . . 2.8700000000000001 110.026 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.77 35.71 8.24 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 114.932 -1.031 . . . . 3.2799999999999998 110.808 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.57 HG11 HG23 ' A' ' 34' ' ' THR . 3.8 m -138.71 146.44 26.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.332 -0.934 . . . . 3.3900000000000001 109.674 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.8 p -57.0 145.32 30.8 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.888 -0.725 . . . . 4.3399999999999999 109.994 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.638 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 67.2 t80 -45.84 -50.5 14.18 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.13 -0.941 . . . . 3.71 111.978 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -22.37 65.45 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.846 -1.07 . . . . 5.5 112.41 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 23' ' ' VAL . 89.8 m -69.39 -61.24 1.87 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.977 0.418 . . . . 3.6499999999999999 110.109 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.59 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -68.98 -28.95 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.786 -0.643 . . . . 2.8500000000000001 111.192 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.546 ' HA ' HD13 ' A' ' 6' ' ' LEU . 33.2 t -59.59 -39.79 85.31 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.94 -0.763 . . . . 3.1899999999999999 108.94 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -31.44 68.69 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.687 -0.857 . . . . 4.4400000000000004 108.687 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.979 HG11 HG21 ' A' ' 38' ' ' VAL . 70.3 t -66.59 -49.58 73.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.685 -1.143 . . . . 2.9100000000000001 110.197 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 115.096 -0.957 . . . . 2.7200000000000002 112.409 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.687 ' O ' HG13 ' A' ' 38' ' ' VAL . 6.5 m . . . . . 0 N--CA 1.445 -0.705 0 CA-C-O 120.55 0.215 . . . . 2.8599999999999999 111.025 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -66.97 -34.38 77.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.299 -0.63 . . . . 4.1600000000000001 109.299 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.3 -34.56 78.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.643 -0.708 . . . . 3.5499999999999998 110.104 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -77.03 -45.28 27.73 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.945 -0.57 . . . . 2.8399999999999999 110.627 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.979 HG21 HG11 ' A' ' 23' ' ' VAL . 3.8 m -63.15 -46.01 97.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.183 -0.673 . . . . 2.2599999999999998 109.183 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -62.11 -45.42 93.55 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.817 -0.629 . . . . 3.27 110.015 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.709 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -59.27 -54.41 47.16 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 108.734 -0.839 . . . . 2.8599999999999999 108.734 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.837 ' HA ' ' HD2' ' A' ' 12' ' ' TYR . . . -52.23 -51.77 56.33 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 112.995 0.739 . . . . 2.8900000000000001 112.995 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.8 ptp -65.3 -32.8 74.64 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.749 -0.38 . . . . 2.8799999999999999 110.329 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.62 -43.32 69.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 3.6000000000000001 111.398 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.709 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 3.9 mm-40 -69.13 -44.48 72.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.422 0.63 . . . . 4.0899999999999999 110.578 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.3 mt -81.13 1.07 33.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.472 -0.786 . . . . 3.71 110.918 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 24.9 t30 . . . . . 0 N--CA 1.471 0.62 0 O-C-N 123.761 0.663 . . . . 4.1799999999999997 109.932 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.2 p . . . . . 0 CA--C 1.503 -0.857 0 N-CA-C 105.995 -1.854 . . . . 3.1699999999999999 105.995 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.816 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 0.8 OUTLIER -61.07 -21.0 63.24 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 118.951 -1.099 . . . . 2.5600000000000001 108.77 177.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -41.38 99.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 113.555 -1.657 . . . . 4.2800000000000002 110.297 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -65.91 -42.94 89.56 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 114.042 -1.435 . . . . 3.77 110.106 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' B' ' 42' ' ' MET . 74.6 t -67.62 -41.25 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 115.085 -0.961 . . . . 2.6800000000000002 109.33 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.437 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -61.25 -47.51 85.72 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.29 -1.323 . . . . 3.1299999999999999 111.049 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.21 -49.44 74.21 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.513 -0.767 . . . . 5.21 109.332 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.789 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 51.2 t80 -61.68 -28.91 69.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.934 -1.03 . . . . 3.6200000000000001 111.384 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.53 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -83.05 -25.86 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.582 0.706 . . . . 2.9399999999999999 109.444 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.51 32.17 14.22 Favored Glycine 0 CA--C 1.503 -0.711 0 CA-C-N 114.565 -1.198 . . . . 3.6600000000000001 111.164 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.819 ' HB ' HG21 ' B' ' 19' ' ' THR . 15.9 m -140.29 151.91 21.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 114.572 -0.814 . . . . 3.5299999999999998 111.331 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.2 m -49.76 158.62 0.46 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.957 0.884 . . . . 4.3799999999999999 110.719 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.816 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 65.6 t80 -56.18 -58.21 8.92 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 114.971 -1.013 . . . . 3.6200000000000001 109.856 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.861 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.16 7.06 2.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.803 -1.089 . . . . 5.04 112.718 179.418 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.819 HG21 ' HB ' ' B' ' 15' ' ' VAL . 37.9 m -72.2 -56.92 4.73 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 101.138 -3.653 . . . . 3.7799999999999998 101.138 173.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.773 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -76.95 -29.73 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 CA-C-N 112.711 -2.041 . . . . 2.9300000000000002 113.063 176.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.861 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 30.9 m -59.88 -30.97 69.36 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.615 -0.678 . . . . 3.23 109.306 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -64.62 -40.28 95.21 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 106.766 -1.568 . . . . 5.4000000000000004 106.766 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.709 HG11 HG21 ' B' ' 38' ' ' VAL . 51.3 t -65.58 -51.08 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 113.399 -1.728 . . . . 3.1800000000000002 110.494 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.58 HG21 HD21 ' B' ' 6' ' ' LEU . 25.3 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.351 -0.841 . . . . 3.1200000000000001 112.014 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 22.0 mtt180 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 111.685 0.254 . . . . 3.9100000000000001 111.685 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -32.71 72.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.548 0.213 . . . . 2.9399999999999999 111.573 -178.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -70.44 -47.38 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.999 0.428 . . . . 3.1000000000000001 110.26 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.773 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -69.15 -42.83 81.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.763 -0.653 . . . . 2.3300000000000001 110.02 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.9 OUTLIER -59.63 -40.36 87.33 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.266 -0.642 . . . . 3.0 109.266 177.697 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.56 -51.75 67.26 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.891 -0.781 . . . . 2.6499999999999999 108.891 177.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.789 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -54.2 -51.71 63.55 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.392 -0.822 . . . . 2.6800000000000002 112.963 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.465 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.5 ptp -63.92 -31.57 72.8 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.115 -0.234 . . . . 2.7400000000000002 110.5 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.05 -43.56 67.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.923 0.392 . . . . 3.4300000000000002 111.248 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.499 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 4.5 mm-40 -68.28 -44.54 75.3 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.371 0.605 . . . . 3.8100000000000001 110.833 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.413 -0.812 . . . . 3.4700000000000002 110.781 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.6 p . . . . . 0 CA--C 1.502 -0.886 0 N-CA-C 105.94 -1.874 . . . . 3.5499999999999998 105.94 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.691 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 1.7 mt -59.34 -23.05 62.17 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 119.226 -0.989 . . . . 2.8500000000000001 110.833 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -65.18 -37.65 88.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.336 -0.847 . . . . 4.3899999999999997 110.596 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -65.36 -45.43 84.17 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.712 -1.131 . . . . 4.1299999999999999 110.132 -178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.453 HG13 ' HB3' ' A' ' 41' ' ' ALA . 86.2 t -67.87 -40.86 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.412 -0.813 . . . . 2.9100000000000001 109.025 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.597 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.82 -47.54 82.33 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.454 -1.248 . . . . 3.1400000000000001 111.164 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -50.17 65.46 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.719 -0.673 . . . . 5.2400000000000002 109.806 -179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.822 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.2 t80 -61.99 -27.99 69.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.007 -0.997 . . . . 3.8199999999999998 111.653 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.488 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.1 -27.21 30.35 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.556 0.693 . . . . 2.8700000000000001 109.189 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.04 33.39 9.68 Favored Glycine 0 N--CA 1.44 -1.092 0 CA-C-N 114.684 -1.144 . . . . 3.2799999999999998 111.125 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.73 HG11 HG23 ' A' ' 34' ' ' THR . 6.6 m -139.08 145.93 26.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.414 -0.893 . . . . 3.3900000000000001 110.461 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.5 m -57.39 154.54 10.61 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 122.033 0.921 . . . . 4.3399999999999999 110.704 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.691 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 88.5 t80 -53.35 -51.45 62.41 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 114.099 -1.41 . . . . 3.71 112.898 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -20.03 65.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.856 -0.611 . . . . 5.5 111.303 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 23' ' ' VAL . 9.3 m -68.55 -62.42 1.4 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.9 -0.407 . . . . 3.6499999999999999 109.9 177.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -69.46 -29.41 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 2.8500000000000001 112.149 -179.073 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -57.85 -44.37 86.48 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.671 -0.492 . . . . 3.1899999999999999 109.671 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -27.79 64.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.055 -0.72 . . . . 4.4400000000000004 109.055 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.006 HG11 HG21 ' A' ' 38' ' ' VAL . 53.3 t -67.49 -50.18 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-N 114.65 -1.159 . . . . 2.9100000000000001 110.965 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.491 -0.777 . . . . 2.7200000000000002 111.208 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.743 ' O ' HG13 ' A' ' 38' ' ' VAL . 12.1 m . . . . . 0 N--CA 1.445 -0.703 0 N-CA-C 111.498 0.184 . . . . 2.8599999999999999 111.498 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 35' ' ' ARG . 31.2 mtm180 -63.28 -35.29 79.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.342 0.591 . . . . 4.1600000000000001 109.889 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -67.43 -40.41 85.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.157 -0.928 . . . . 3.5499999999999998 111.605 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -77.77 -37.78 48.21 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 120.522 -0.471 . . . . 2.8399999999999999 111.492 -178.584 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.006 HG21 HG11 ' A' ' 23' ' ' VAL . 3.5 m -62.7 -46.24 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 108.529 -0.915 . . . . 2.2599999999999998 108.529 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 5.4 mt-10 -61.41 -42.38 98.64 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.517 -0.765 . . . . 3.27 109.616 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.741 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -61.34 -54.81 39.07 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.107 -0.701 . . . . 2.8599999999999999 109.107 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.822 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.07 -51.4 53.62 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 113.327 0.862 . . . . 2.8900000000000001 113.327 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.439 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.8 ptp -64.22 -32.68 74.35 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.855 -0.338 . . . . 2.8799999999999999 110.352 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.42 -44.24 65.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.383 . . . . 3.6000000000000001 111.132 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.741 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 3.9 mm-40 -69.14 -44.65 71.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.878 -0.601 . . . . 4.0899999999999999 111.102 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.4 mt -80.76 -0.35 38.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.781 -0.645 . . . . 3.71 110.896 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 42.5 t30 . . . . . 0 N--CA 1.474 0.769 0 O-C-N 123.81 0.694 . . . . 4.1799999999999997 110.119 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.436 -1.136 0 N-CA-C 105.335 -2.098 . . . . 3.1699999999999999 105.335 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.764 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.4 mt -60.14 -21.0 61.08 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 118.887 -1.125 . . . . 2.5600000000000001 111.001 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -35.02 79.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.298 -0.864 . . . . 4.2800000000000002 109.447 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' B' ' 5' ' ' THR . 23.8 m-20 -65.67 -44.8 85.16 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 114.061 -1.427 . . . . 3.77 109.878 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' B' ' 42' ' ' MET . 74.5 t -67.39 -42.6 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.157 -0.929 . . . . 2.6800000000000002 108.717 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.531 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.72 -47.04 85.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.782 -1.554 . . . . 3.1299999999999999 111.432 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -49.34 71.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.722 -0.672 . . . . 5.21 109.304 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.792 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 40.2 t80 -59.82 -28.99 67.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.56 -0.745 . . . . 3.6200000000000001 111.43 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -85.4 -26.1 26.62 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.695 0.759 . . . . 2.9399999999999999 109.527 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.35 30.97 14.79 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 114.313 -1.312 . . . . 3.6600000000000001 111.599 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.658 ' HB ' ' CB ' ' B' ' 19' ' ' THR . 9.2 m -140.01 153.54 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.094 -0.553 . . . . 3.5299999999999998 112.475 -176.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.1 m -49.92 165.09 0.09 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 122.245 1.021 . . . . 4.3799999999999999 112.166 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.764 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 54.8 t80 -61.14 -59.24 5.65 Favored 'General case' 0 C--O 1.159 -3.682 0 CA-C-N 115.022 -0.99 . . . . 3.6200000000000001 109.207 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.17 16.5 0.17 Allowed 'General case' 0 C--N 1.291 -1.963 0 C-N-CA 126.421 1.888 . . . . 5.04 108.601 171.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.658 ' CB ' ' HB ' ' B' ' 15' ' ' VAL . 32.2 m -82.1 -64.69 1.13 Allowed 'General case' 0 N--CA 1.414 -2.237 1 N-CA-C 98.983 -4.451 . . . . 3.7799999999999998 98.983 165.534 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.84 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.5 OUTLIER -76.4 -36.2 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 C-N-CA 127.538 2.335 . . . . 2.9300000000000002 116.715 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.9 p -62.48 -29.27 70.41 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.413 -0.804 . . . . 3.23 109.959 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -32.01 70.47 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 106.658 -1.608 . . . . 5.4000000000000004 106.658 176.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.81 HG11 HG21 ' B' ' 38' ' ' VAL . 97.6 t -66.33 -51.07 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 CA-C-N 113.846 -1.525 . . . . 3.1800000000000002 108.988 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.081 -0.963 . . . . 3.1200000000000001 111.762 179.603 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 19.3 mtm180 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.988 0.423 . . . . 3.9100000000000001 110.236 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -67.77 -38.87 84.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.597 -0.728 . . . . 2.9399999999999999 111.109 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -71.8 -45.62 60.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.117 -0.492 . . . . 3.1000000000000001 111.056 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.84 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.4 m -67.07 -46.5 84.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.536 -0.302 . . . . 2.3300000000000001 110.199 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.625 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.5 tt0 -59.99 -41.75 92.71 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.046 -0.724 . . . . 3.0 109.046 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.711 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.71 -53.98 46.14 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.147 -0.686 . . . . 2.6499999999999999 109.147 178.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.792 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.6 -51.82 52.51 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.155 0.798 . . . . 2.6800000000000002 113.155 -179.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.48 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.6 ptp -64.96 -32.48 74.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.767 0.318 . . . . 2.7400000000000002 110.396 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.43 -42.69 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 3.4300000000000002 111.217 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.711 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.2 mm-40 -69.24 -44.63 71.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.869 -0.605 . . . . 3.8100000000000001 110.737 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.1 mt . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.54 -0.755 . . . . 3.4700000000000002 111.053 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.7 p . . . . . 0 N--CA 1.438 -1.029 0 N-CA-C 105.633 -1.988 . . . . 3.5499999999999998 105.633 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.6 mt -59.32 -22.58 61.46 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 119.372 -0.931 . . . . 2.8500000000000001 110.93 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -65.35 -38.24 89.5 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.503 -0.771 . . . . 4.3899999999999997 110.217 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -65.58 -45.27 83.92 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 114.437 -1.256 . . . . 4.1299999999999999 109.731 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 41' ' ' ALA . 96.7 t -68.07 -41.69 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 115.209 -0.905 . . . . 2.9100000000000001 109.202 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.586 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.47 -46.83 83.23 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.708 -1.133 . . . . 3.1400000000000001 111.334 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.16 -49.31 61.8 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.647 -0.501 . . . . 5.2400000000000002 109.647 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.84 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 50.2 t80 -60.81 -27.74 68.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.656 -0.702 . . . . 3.8199999999999998 111.476 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.93 -27.95 28.19 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.742 0.782 . . . . 2.8700000000000001 109.524 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.1 35.15 9.11 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-N 114.693 -1.139 . . . . 3.2799999999999998 110.968 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.822 HG11 HG23 ' A' ' 34' ' ' THR . 5.6 m -139.48 146.54 25.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.498 -0.851 . . . . 3.3900000000000001 110.178 -178.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -55.85 149.85 14.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.602 0.715 . . . . 4.3399999999999999 110.384 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 71.2 t80 -51.62 -51.18 57.74 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.652 -1.158 . . . . 3.71 111.871 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.58 -22.15 64.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.549 -0.751 . . . . 5.5 111.927 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 23' ' ' VAL . 9.1 m -68.67 -61.12 1.95 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.557 -0.292 . . . . 3.6499999999999999 110.349 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.586 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -68.52 -29.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 2.8500000000000001 111.932 -179.21 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.4 m -58.1 -42.5 85.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.142 0.496 . . . . 3.1899999999999999 109.857 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -29.97 67.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.807 -0.812 . . . . 4.4400000000000004 108.807 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.947 HG11 HG21 ' A' ' 38' ' ' VAL . 71.5 t -67.28 -50.37 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 114.533 -1.212 . . . . 2.9100000000000001 110.51 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.094 -0.957 . . . . 2.7200000000000002 111.473 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.822 HG23 HG11 ' A' ' 15' ' ' VAL . 26.6 m . . . . . 0 N--CA 1.443 -0.822 0 N-CA-C 111.421 0.156 . . . . 2.8599999999999999 111.421 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 38' ' ' VAL . 20.0 mtm180 -66.98 -37.11 83.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.095 -0.706 . . . . 4.1600000000000001 109.095 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -67.63 -35.38 78.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.451 -1.25 . . . . 3.5499999999999998 110.264 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -71.01 -46.69 61.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.583 -0.735 . . . . 2.8399999999999999 110.683 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.947 HG21 HG11 ' A' ' 23' ' ' VAL . 2.5 m -64.98 -47.02 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.984 -0.376 . . . . 2.2599999999999998 109.984 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.47 -42.14 99.28 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.972 -0.558 . . . . 3.27 110.008 179.108 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.753 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.96 -53.34 58.43 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.5 -0.926 . . . . 2.8599999999999999 108.5 177.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.84 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.52 -51.83 51.93 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 113.236 0.828 . . . . 2.8900000000000001 113.236 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.419 ' N ' HG13 ' A' ' 9' ' ' VAL . 16.7 ptp -65.18 -32.29 73.89 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.732 -0.387 . . . . 2.8799999999999999 110.417 -179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.91 66.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.972 0.415 . . . . 3.6000000000000001 111.069 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.753 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.5 mm-40 -69.59 -44.36 70.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 4.0899999999999999 110.82 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.8 mt -79.34 -0.0 30.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.468 -0.787 . . . . 3.71 110.611 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 13.5 t30 . . . . . 0 N--CA 1.469 0.504 0 O-C-N 123.757 0.661 . . . . 4.1799999999999997 110.672 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.9 p . . . . . 0 CA--C 1.5 -0.976 0 N-CA-C 105.864 -1.902 . . . . 3.1699999999999999 105.864 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.724 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.4 mt -61.4 -20.89 63.57 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 118.858 -1.137 . . . . 2.5600000000000001 109.336 178.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.58 -40.12 96.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.746 -1.115 . . . . 4.2800000000000002 109.893 177.839 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.16 -44.46 92.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 113.855 -1.521 . . . . 3.77 109.739 -178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.458 HG13 ' N ' ' B' ' 42' ' ' MET . 93.9 t -67.9 -41.64 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.186 -0.916 . . . . 2.6800000000000002 109.239 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.512 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -59.93 -46.89 87.94 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.238 -1.346 . . . . 3.1299999999999999 111.412 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.41 -49.11 70.45 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.497 0.665 . . . . 5.21 109.376 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.739 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 52.7 t80 -60.86 -28.25 68.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.903 -1.044 . . . . 3.6200000000000001 111.29 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.97 -26.73 26.95 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.452 0.644 . . . . 2.9399999999999999 109.281 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.27 31.7 13.56 Favored Glycine 0 CA--C 1.501 -0.834 0 CA-C-N 114.719 -1.128 . . . . 3.6600000000000001 111.32 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.641 ' HB ' HG21 ' B' ' 19' ' ' THR . 9.5 m -140.21 150.88 21.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.648 -0.776 . . . . 3.5299999999999998 110.758 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 14.2 m -47.35 161.98 0.07 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.601 0.715 . . . . 4.3799999999999999 112.349 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.724 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 66.4 t80 -60.42 -60.89 3.09 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 114.971 -1.013 . . . . 3.6200000000000001 108.851 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 1.049 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -71.3 11.31 0.46 Allowed 'General case' 0 C--O 1.251 1.145 0 C-N-CA 120.16 -0.616 . . . . 5.04 112.222 174.689 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.641 HG21 ' HB ' ' B' ' 15' ' ' VAL . 45.8 m -74.4 -63.21 1.28 Allowed 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 101.894 -3.372 . . . . 3.7799999999999998 101.894 170.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.836 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.6 m -75.48 -32.06 24.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 113.943 -1.48 . . . . 2.9300000000000002 112.652 177.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' SER . . . . . 1.049 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 37.5 t -61.62 -36.57 81.13 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 121.422 -0.799 . . . . 3.23 110.011 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -67.91 -32.37 72.8 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.386 -1.339 . . . . 5.4000000000000004 107.386 178.272 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.755 HG11 HG21 ' B' ' 38' ' ' VAL . 87.3 t -66.04 -50.49 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 113.747 -1.57 . . . . 3.1800000000000002 109.653 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.053 -0.976 . . . . 3.1200000000000001 112.364 179.772 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.982 0.42 . . . . 3.9100000000000001 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.16 -33.87 76.35 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.502 -0.772 . . . . 2.9399999999999999 111.331 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -77.39 -42.15 37.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.574 -0.285 . . . . 3.1000000000000001 110.741 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.836 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.3 m -68.22 -45.14 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.666 -0.494 . . . . 2.3300000000000001 109.666 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.14 -37.61 85.81 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.178 -0.675 . . . . 3.0 109.178 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.66 -54.96 31.52 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.634 -0.876 . . . . 2.6499999999999999 108.634 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.739 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.15 -51.43 53.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.618 -0.719 . . . . 2.6800000000000002 112.751 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.458 ' N ' HG13 ' B' ' 9' ' ' VAL . 16.9 ptp -64.22 -32.03 73.46 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.032 -0.267 . . . . 2.7400000000000002 110.381 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.11 -44.59 65.32 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.073 0.463 . . . . 3.4300000000000002 111.069 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.8 -43.42 79.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.72 -0.673 . . . . 3.8100000000000001 110.391 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.0 mt . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.648 -0.706 . . . . 3.4700000000000002 110.758 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 40.2 p . . . . . 0 CA--C 1.499 -0.984 0 N-CA-C 106.465 -1.68 . . . . 3.5499999999999998 106.465 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.681 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 1.6 mt -59.02 -23.98 62.42 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.051 -1.059 . . . . 2.8500000000000001 110.756 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -65.21 -35.45 81.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.313 -0.858 . . . . 4.3899999999999997 110.042 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 5' ' ' THR . 5.1 m-20 -65.51 -46.81 78.24 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 114.377 -1.283 . . . . 4.1299999999999999 109.815 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.437 HG13 ' HB3' ' A' ' 41' ' ' ALA . 96.3 t -68.37 -41.24 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 115.712 -0.676 . . . . 2.9100000000000001 109.365 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.0 -46.82 84.62 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.581 -1.191 . . . . 3.1400000000000001 111.603 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.81 -49.78 60.44 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.497 0.665 . . . . 5.2400000000000002 109.535 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.793 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 52.8 t80 -60.51 -27.42 67.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.677 -1.147 . . . . 3.8199999999999998 111.752 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.05 -27.6 26.23 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.602 0.715 . . . . 2.8700000000000001 109.659 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 35.12 8.95 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 114.751 -1.113 . . . . 3.2799999999999998 110.957 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.624 HG11 HG23 ' A' ' 34' ' ' THR . 5.2 m -139.08 147.36 24.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.315 -0.942 . . . . 3.3900000000000001 109.847 -178.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 m -55.72 150.29 12.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.639 0.733 . . . . 4.3399999999999999 110.239 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.681 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 79.1 t80 -51.7 -51.45 55.92 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 114.49 -1.232 . . . . 3.71 112.219 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -25.05 66.43 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.465 -0.789 . . . . 5.5 111.694 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.7 m -64.98 -61.49 2.13 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.884 0.373 . . . . 3.6499999999999999 110.229 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.668 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -69.37 -29.1 40.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 2.8500000000000001 111.291 -179.736 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.483 ' HA ' HD13 ' A' ' 6' ' ' LEU . 33.9 t -58.43 -43.69 88.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.039 -0.726 . . . . 3.1899999999999999 109.039 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 19' ' ' THR . 1.7 ptm180 -70.16 -26.56 63.98 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.761 -0.654 . . . . 4.4400000000000004 109.379 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.044 HG11 HG21 ' A' ' 38' ' ' VAL . 46.9 t -66.39 -50.35 68.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.377 -0.829 . . . . 2.9100000000000001 110.562 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.041 -0.981 . . . . 2.7200000000000002 112.124 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.691 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.4 m . . . . . 0 N--CA 1.444 -0.757 0 N-CA-C 111.708 0.262 . . . . 2.8599999999999999 111.708 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.499 ' O ' HG22 ' A' ' 38' ' ' VAL . 20.0 mtm180 -67.31 -37.84 84.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.462 -0.57 . . . . 4.1600000000000001 109.462 -178.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -68.14 -30.54 69.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.271 -0.877 . . . . 3.5499999999999998 110.131 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -73.65 -47.69 37.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.05 -0.523 . . . . 2.8399999999999999 109.815 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.044 HG21 HG11 ' A' ' 23' ' ' VAL . 3.0 m -64.17 -44.84 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 108.735 -0.839 . . . . 2.2599999999999998 108.735 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 5.7 mt-10 -57.79 -48.95 78.22 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.427 -0.806 . . . . 3.27 109.601 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.03 -55.55 33.65 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 109.244 -0.65 . . . . 2.8599999999999999 109.244 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.793 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.73 -51.51 49.34 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.284 0.846 . . . . 2.8900000000000001 113.284 -178.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 16.6 ptp -65.26 -32.49 74.19 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.697 -0.401 . . . . 2.8799999999999999 110.337 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.27 -44.26 65.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.971 0.415 . . . . 3.6000000000000001 111.348 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -43.25 74.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.83 -0.623 . . . . 4.0899999999999999 110.795 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.9 mt -81.37 0.44 37.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.857 -0.61 . . . . 3.71 110.613 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 t30 . . . . . 0 N--CA 1.468 0.449 0 C-N-CA 123.505 0.722 . . . . 4.1799999999999997 110.023 -179.074 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 31.9 p . . . . . 0 CA--C 1.498 -1.044 0 N-CA-C 106.651 -1.611 . . . . 3.1699999999999999 106.651 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.883 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -60.9 -21.67 63.58 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 118.356 -1.337 . . . . 2.5600000000000001 109.079 178.435 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -64.01 -40.24 95.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.671 -1.149 . . . . 4.2800000000000002 109.842 177.33 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' B' ' 5' ' ' THR . 7.6 m-20 -61.83 -44.53 96.66 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 114.087 -1.415 . . . . 3.77 109.726 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' B' ' 42' ' ' MET . 70.8 t -68.55 -41.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.419 -0.81 . . . . 2.6800000000000002 109.076 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.491 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.87 -46.11 88.56 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.254 -1.339 . . . . 3.1299999999999999 111.467 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.06 -49.16 71.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.749 -0.659 . . . . 5.21 109.621 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.808 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 47.3 t80 -61.46 -28.1 69.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.837 -1.074 . . . . 3.6200000000000001 111.401 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.16 -26.51 25.12 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.764 0.792 . . . . 2.9399999999999999 108.986 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.13 32.71 11.81 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 114.284 -1.325 . . . . 3.6600000000000001 111.916 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.758 ' HB ' HG21 ' B' ' 19' ' ' THR . 8.1 m -139.78 150.38 22.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.131 -0.534 . . . . 3.5299999999999998 112.078 -176.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.566 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -49.97 154.8 1.03 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.374 0.607 . . . . 4.3799999999999999 110.656 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.883 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 66.3 t80 -51.25 -59.89 3.71 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 108.423 -0.954 . . . . 3.6200000000000001 108.423 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.768 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -70.53 6.77 1.27 Allowed 'General case' 0 CA--C 1.482 -1.665 0 CA-C-N 115.179 -0.919 . . . . 5.04 112.518 178.038 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.758 HG21 ' HB ' ' B' ' 15' ' ' VAL . 18.7 m -72.66 -64.35 0.98 Allowed 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 101.675 -3.454 . . . . 3.7799999999999998 101.675 170.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.737 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.2 m -75.79 -31.1 22.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 CA-C-N 112.845 -1.979 . . . . 2.9300000000000002 114.291 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.768 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 36.2 t -61.43 -33.19 73.3 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.559 -0.713 . . . . 3.23 109.409 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -33.57 75.86 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.035 -1.469 . . . . 5.4000000000000004 107.035 178.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.851 HG11 HG21 ' B' ' 38' ' ' VAL . 93.6 t -66.09 -50.98 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 113.605 -1.634 . . . . 3.1800000000000002 109.528 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 114.549 -1.205 . . . . 3.1200000000000001 112.741 179.848 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.427 ' HA ' HG22 ' B' ' 38' ' ' VAL . 18.6 mtm180 . . . . . 0 CA--C 1.518 -0.257 0 CA-C-O 120.881 0.372 . . . . 3.9100000000000001 110.409 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.83 -34.4 77.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.662 -0.699 . . . . 2.9399999999999999 111.023 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -82.14 -40.28 22.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.255 -0.429 . . . . 3.1000000000000001 111.465 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.851 HG21 HG11 ' B' ' 23' ' ' VAL . 4.3 m -67.86 -45.82 83.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.598 -0.519 . . . . 2.3300000000000001 109.598 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.416 ' N ' HG23 ' B' ' 38' ' ' VAL . 3.3 mt-10 -62.74 -38.0 88.81 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.462 -0.57 . . . . 3.0 109.462 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.667 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.73 -54.18 43.09 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.382 -0.969 . . . . 2.6499999999999999 108.382 177.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.808 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.08 -51.26 58.81 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.502 -0.772 . . . . 2.6800000000000002 113.031 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.441 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.8 ptp -64.43 -32.17 73.68 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.988 -0.285 . . . . 2.7400000000000002 110.334 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 -45.31 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 3.4300000000000002 111.062 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.667 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 8.8 mm-40 -66.53 -44.82 81.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.746 -0.661 . . . . 3.8100000000000001 110.711 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.2 mt . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.702 -0.681 . . . . 3.4700000000000002 110.671 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.1 p . . . . . 0 N--CA 1.441 -0.877 0 N-CA-C 105.796 -1.927 . . . . 3.5499999999999998 105.796 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.603 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.7 mt -59.21 -23.45 62.29 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 119.542 -0.863 . . . . 2.8500000000000001 111.151 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -65.22 -39.38 92.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.714 0.769 . . . . 4.3899999999999997 110.023 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -66.07 -44.42 84.52 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.441 -1.254 . . . . 4.1299999999999999 109.818 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.543 HG13 ' HB3' ' A' ' 41' ' ' ALA . 91.2 t -68.07 -41.19 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 CA-C-N 115.536 -0.757 . . . . 2.9100000000000001 109.227 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.19 -48.11 81.36 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.577 -1.192 . . . . 3.1400000000000001 111.256 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.71 -48.42 63.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.958 -0.564 . . . . 5.2400000000000002 109.494 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.785 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.3 t80 -60.65 -27.76 68.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 3.8199999999999998 111.6 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.446 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.54 -27.87 27.05 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.691 0.758 . . . . 2.8700000000000001 109.539 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.74 34.46 9.12 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 114.75 -1.114 . . . . 3.2799999999999998 110.997 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.842 HG11 HG23 ' A' ' 34' ' ' THR . 4.5 m -139.33 146.88 24.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.395 -0.902 . . . . 3.3900000000000001 109.938 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 m -55.68 151.95 10.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.6 0.714 . . . . 4.3399999999999999 110.478 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.603 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.0 t80 -54.1 -50.89 65.82 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.625 -1.17 . . . . 3.71 111.372 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -27.61 65.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.008 -0.997 . . . . 5.5 111.572 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.2 m -67.28 -61.69 1.79 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.435 -0.348 . . . . 3.6499999999999999 111.077 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.668 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -65.74 -28.85 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 2.8500000000000001 111.861 -178.177 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.0 m -56.96 -45.25 82.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.084 0.469 . . . . 3.1899999999999999 109.807 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -28.79 64.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.362 -0.607 . . . . 4.4400000000000004 109.362 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 19' ' ' THR . 91.4 t -68.05 -43.36 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 114.924 -1.035 . . . . 2.9100000000000001 110.151 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.233 0.184 0 CA-C-O 121.512 0.672 . . . . 2.7200000000000002 109.56 178.599 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.842 HG23 HG11 ' A' ' 15' ' ' VAL . 61.6 m . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 111.313 0.116 . . . . 2.8599999999999999 111.313 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 38' ' ' VAL . 15.9 mtm180 -67.33 -38.21 84.53 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 108.472 -0.936 . . . . 4.1600000000000001 108.472 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -67.62 -30.58 70.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.6 -1.182 . . . . 3.5499999999999998 109.738 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.17 -46.75 55.08 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.877 -0.601 . . . . 2.8399999999999999 110.0 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 34' ' ' THR . 1.3 m -65.84 -46.23 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 108.898 -0.778 . . . . 2.2599999999999998 108.898 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 13.3 mt-10 -60.2 -40.62 90.72 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.714 -0.676 . . . . 3.27 109.657 178.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.802 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -63.16 -55.34 26.02 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.653 -0.869 . . . . 2.8599999999999999 108.653 177.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.785 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.37 -51.26 47.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.82 0.674 . . . . 2.8900000000000001 112.82 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.427 ' HE3' ' O ' ' A' ' 38' ' ' VAL . 13.0 ptp -65.34 -32.14 73.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.677 -0.409 . . . . 2.8799999999999999 110.204 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.63 -46.36 59.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.841 0.353 . . . . 3.6000000000000001 110.972 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.802 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.2 mm-40 -66.14 -44.46 84.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.824 -0.625 . . . . 4.0899999999999999 110.283 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 11.1 mt -80.45 -0.48 37.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.785 -0.643 . . . . 3.71 110.193 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.6 t30 . . . . . 0 N--CA 1.471 0.613 0 C-N-CA 123.874 0.87 . . . . 4.1799999999999997 110.903 -179.304 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.0 p . . . . . 0 CA--C 1.499 -1.002 0 N-CA-C 105.841 -1.911 . . . . 3.1699999999999999 105.841 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.814 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -61.1 -20.25 62.41 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 118.731 -1.188 . . . . 2.5600000000000001 109.339 178.53 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.35 -38.2 90.2 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.761 -1.109 . . . . 4.2800000000000002 109.807 177.413 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.44 -44.65 86.61 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 113.928 -1.487 . . . . 3.77 109.679 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' B' ' 42' ' ' MET . 76.8 t -67.74 -41.76 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-N 115.245 -0.888 . . . . 2.6800000000000002 109.628 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.471 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.02 -47.13 87.12 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.324 -1.307 . . . . 3.1299999999999999 111.413 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.4 -48.14 76.52 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.817 -0.629 . . . . 5.21 109.328 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.825 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 42.8 t80 -61.56 -27.11 68.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.955 -1.02 . . . . 3.6200000000000001 111.45 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.712 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -85.93 -25.87 25.85 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.515 0.674 . . . . 2.9399999999999999 109.708 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.19 32.37 12.4 Favored Glycine 0 CA--C 1.5 -0.861 0 CA-C-N 114.863 -1.062 . . . . 3.6600000000000001 111.077 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.631 ' HB ' HG21 ' B' ' 19' ' ' THR . 5.1 m -141.83 150.82 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.073 -1.064 . . . . 3.5299999999999998 111.389 -177.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.451 ' HB2' ' OG1' ' B' ' 19' ' ' THR . 16.0 m -49.7 155.89 0.76 Allowed 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.78 0.8 . . . . 4.3799999999999999 110.472 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.814 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.4 t80 -53.41 -58.43 7.13 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 114.664 -1.153 . . . . 3.6200000000000001 109.393 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.909 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.347 0.0 OUTLIER -79.73 21.57 0.52 Allowed 'General case' 0 C--O 1.261 1.66 0 N-CA-C 114.172 1.175 . . . . 5.04 114.172 177.397 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.631 HG21 ' HB ' ' B' ' 15' ' ' VAL . 100.0 m -79.98 -60.63 2.26 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 101.284 -3.599 . . . . 3.7799999999999998 101.284 169.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.806 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.5 m -73.78 -31.85 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-N 111.866 -2.425 . . . . 2.9300000000000002 113.073 176.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.909 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 48.4 t -64.47 -35.58 81.4 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 121.689 -0.632 . . . . 3.23 109.36 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -64.04 -38.97 93.01 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 106.226 -1.768 . . . . 5.4000000000000004 106.226 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.762 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 93.1 t -58.59 -51.9 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 114.227 -1.352 . . . . 3.1800000000000002 108.756 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 51.2 t . . . . . 0 CA--C 1.541 0.607 0 CA-C-N 114.721 -1.127 . . . . 3.1200000000000001 111.544 178.1 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.499 ' O ' HG22 ' B' ' 38' ' ' VAL . 11.2 mtp180 . . . . . 0 C--O 1.221 -0.398 0 N-CA-C 109.473 -0.565 . . . . 3.9100000000000001 109.473 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -67.64 -32.65 73.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.279 -0.873 . . . . 2.9399999999999999 110.463 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.712 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 2.4 ptmt -72.99 -43.38 62.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 3.1000000000000001 110.105 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.806 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -69.77 -41.93 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.147 -0.686 . . . . 2.3300000000000001 109.147 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 5.1 mt-10 -58.85 -42.69 89.94 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.444 -0.798 . . . . 3.0 109.069 177.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.605 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.98 -52.77 61.71 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 109.033 -0.728 . . . . 2.6499999999999999 109.033 177.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.825 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.98 -51.48 56.93 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 113.173 0.805 . . . . 2.6800000000000002 113.173 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.494 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.1 ptp -64.84 -32.33 73.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.585 0.231 . . . . 2.7400000000000002 110.503 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.46 -42.59 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 3.4300000000000002 111.333 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.8 mm-40 -69.22 -43.88 73.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.374 0.607 . . . . 3.8100000000000001 110.621 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.254 -0.885 . . . . 3.4700000000000002 110.776 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 CA--C 1.504 -0.819 0 N-CA-C 106.697 -1.594 . . . . 3.5499999999999998 106.697 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.637 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 3.1 mt -59.98 -24.23 64.26 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 119.108 -1.037 . . . . 2.8500000000000001 111.195 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -64.87 -39.95 94.35 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.87 0.843 . . . . 4.3899999999999997 110.649 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -65.66 -43.45 89.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 113.999 -1.455 . . . . 4.1299999999999999 110.178 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.462 HG13 ' HB3' ' A' ' 41' ' ' ALA . 78.9 t -68.8 -41.99 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.64 0.733 . . . . 2.9100000000000001 109.052 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.622 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -56.74 -48.89 76.76 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.318 -1.31 . . . . 3.1400000000000001 111.498 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.33 -49.23 70.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 115.659 -0.701 . . . . 5.2400000000000002 109.547 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.755 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.4 t80 -61.94 -29.92 70.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 3.8199999999999998 111.654 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -79.92 -27.12 39.92 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.73 0.776 . . . . 2.8700000000000001 109.265 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.8 33.02 10.27 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.624 -1.171 . . . . 3.2799999999999998 110.488 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.64 HG11 HG23 ' A' ' 34' ' ' THR . 4.5 m -139.27 145.7 26.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 114.055 -1.072 . . . . 3.3900000000000001 109.858 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -56.26 152.39 11.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.76 0.79 . . . . 4.3399999999999999 110.737 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.637 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.9 t80 -52.82 -51.12 62.09 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.379 -1.282 . . . . 3.71 111.618 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.98 -22.98 63.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.107 -0.951 . . . . 5.5 111.878 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.601 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.4 m -70.54 -62.17 1.49 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.406 -0.361 . . . . 3.6499999999999999 110.776 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.622 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.12 -29.8 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.56 0.578 . . . . 2.8500000000000001 112.56 -178.53 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -58.14 -42.34 85.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.258 0.551 . . . . 3.1899999999999999 109.76 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.03 -30.75 68.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.967 -0.753 . . . . 4.4400000000000004 108.967 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.991 HG11 HG21 ' A' ' 38' ' ' VAL . 74.3 t -65.25 -47.79 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.925 -1.034 . . . . 2.9100000000000001 109.721 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.535 0.386 0 CA-C-N 115.572 -0.74 . . . . 2.7200000000000002 110.096 178.907 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.686 ' O ' HG13 ' A' ' 38' ' ' VAL . 6.6 m . . . . . 0 N--CA 1.442 -0.837 0 N-CA-C 111.349 0.129 . . . . 2.8599999999999999 111.349 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 21.8 mtm180 -64.78 -37.35 87.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.844 0.354 . . . . 4.1600000000000001 110.082 -178.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.97 -30.56 70.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.628 -0.715 . . . . 3.5499999999999998 109.795 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -76.82 -45.72 27.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.843 -0.617 . . . . 2.8399999999999999 110.439 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.991 HG21 HG11 ' A' ' 23' ' ' VAL . 2.3 m -64.3 -46.44 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.213 -0.662 . . . . 2.2599999999999998 109.213 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 4.7 mt-10 -58.7 -42.63 89.03 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.611 -0.722 . . . . 3.27 109.412 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.4 26.0 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.348 -0.612 . . . . 2.8599999999999999 109.348 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.755 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.56 -51.49 47.61 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 113.455 0.909 . . . . 2.8900000000000001 113.455 -178.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.42 ' HA ' HG22 ' A' ' 9' ' ' VAL . 16.5 ptp -64.37 -31.83 73.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.991 -0.374 . . . . 2.8799999999999999 109.991 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.68 -47.36 47.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 3.6000000000000001 111.186 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -44.52 80.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.682 -0.69 . . . . 4.0899999999999999 110.961 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.2 mt -81.12 -1.54 44.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.183 -0.462 . . . . 3.71 110.627 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 32.9 t30 . . . . . 0 N--CA 1.473 0.688 0 O-C-N 123.845 0.716 . . . . 4.1799999999999997 109.736 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.441 -0.921 0 N-CA-C 105.7 -1.963 . . . . 3.1699999999999999 105.7 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.849 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.1 mt -60.6 -19.3 57.38 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.878 -1.129 . . . . 2.5600000000000001 110.168 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.401 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.2 OUTLIER -65.74 -38.77 90.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.704 -1.135 . . . . 4.2800000000000002 110.346 177.338 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.4 -42.13 88.31 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 114.828 -1.078 . . . . 3.77 109.961 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' B' ' 42' ' ' MET . 78.5 t -66.89 -41.31 87.44 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 CA-C-O 121.945 0.878 . . . . 2.6800000000000002 109.047 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' B' ' 15' ' ' VAL . . . -61.21 -46.71 89.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.039 -1.437 . . . . 3.1299999999999999 111.426 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -66.23 -47.88 72.35 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.092 -0.707 . . . . 5.21 109.092 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.774 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 53.1 t80 -60.51 -28.65 68.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.149 -0.932 . . . . 3.6200000000000001 111.008 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.23 -26.39 25.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.571 0.7 . . . . 2.9399999999999999 109.191 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 31.99 12.9 Favored Glycine 0 CA--C 1.504 -0.601 0 CA-C-N 114.551 -1.204 . . . . 3.6600000000000001 111.457 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.782 ' HB ' HG21 ' B' ' 19' ' ' THR . 12.1 m -140.39 151.11 21.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-N 114.616 -0.792 . . . . 3.5299999999999998 111.449 -176.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.451 ' O ' ' HB ' ' B' ' 19' ' ' THR . 2.0 p -52.48 162.29 0.57 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 121.577 0.703 . . . . 4.3799999999999999 110.892 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.849 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 75.4 t80 -55.9 -60.72 3.06 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.271 -1.331 . . . . 3.6200000000000001 111.701 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.937 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.276 0.0 OUTLIER -70.36 -3.15 16.06 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 124.489 1.118 . . . . 5.04 110.888 172.731 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.782 HG21 ' HB ' ' B' ' 15' ' ' VAL . 98.9 m -62.34 -60.4 3.61 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 102.076 -3.305 . . . . 3.7799999999999998 102.076 169.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.982 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.1 m -76.88 -36.9 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 114.553 1.316 . . . . 2.9300000000000002 114.553 177.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.937 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 43.3 t -57.8 -37.41 73.7 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.898 -0.501 . . . . 3.23 109.783 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.693 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.9 OUTLIER -65.55 -32.27 73.78 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 107.212 -1.403 . . . . 5.4000000000000004 107.212 177.311 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.852 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 53.9 t -66.23 -51.71 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 114.186 -1.37 . . . . 3.1800000000000002 109.538 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 114.469 -1.241 . . . . 3.1200000000000001 111.777 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 121.282 0.563 . . . . 3.9100000000000001 110.247 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.28 -37.06 80.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.173 -0.921 . . . . 2.9399999999999999 111.412 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -72.99 -44.21 61.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.33 -0.396 . . . . 3.1000000000000001 111.169 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.982 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -67.31 -46.24 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.802 -0.444 . . . . 2.3300000000000001 109.802 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.418 ' HA ' ' HG2' ' B' ' 42' ' ' MET . 1.4 mt-10 -62.79 -37.65 87.54 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.274 -0.639 . . . . 3.0 109.274 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.18 -55.71 29.08 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 108.252 -1.018 . . . . 2.6499999999999999 108.252 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.774 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.48 -51.38 47.62 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.612 -0.722 . . . . 2.6800000000000002 112.734 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.457 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.9 ptp -65.14 -32.59 74.35 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.769 -0.372 . . . . 2.7400000000000002 110.31 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.39 66.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.042 0.449 . . . . 3.4300000000000002 111.174 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.448 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.8 OUTLIER -67.75 -43.73 79.19 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.726 -0.67 . . . . 3.8100000000000001 110.21 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.574 -0.739 . . . . 3.4700000000000002 110.295 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -1.013 0 N-CA-C 105.71 -1.959 . . . . 3.5499999999999998 105.71 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.678 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.3 mt -58.31 -23.17 55.63 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 119.424 -0.91 . . . . 2.8500000000000001 111.742 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -64.9 -36.64 85.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.591 0.71 . . . . 4.3899999999999997 110.484 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -65.19 -45.06 86.35 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 114.455 -1.248 . . . . 4.1299999999999999 110.573 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 41' ' ' ALA . 92.4 t -68.21 -40.62 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 CA-C-O 121.638 0.733 . . . . 2.9100000000000001 109.207 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.647 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.95 -48.09 82.78 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.44 -1.254 . . . . 3.1400000000000001 111.755 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.19 -48.15 68.81 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.363 -0.606 . . . . 5.2400000000000002 109.363 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.786 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 48.1 t80 -61.53 -28.93 69.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.235 -0.893 . . . . 3.8199999999999998 111.716 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.59 -26.82 29.69 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.907 0.861 . . . . 2.8700000000000001 109.785 -179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.27 35.91 8.51 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.746 -1.115 . . . . 3.2799999999999998 110.676 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.618 HG21 HG12 ' A' ' 38' ' ' VAL . 4.1 m -139.16 146.74 25.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 114.276 -0.962 . . . . 3.3900000000000001 109.959 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -56.28 148.23 19.07 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.548 0.69 . . . . 4.3399999999999999 109.989 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 70.6 t80 -50.63 -51.45 48.78 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 114.72 -1.127 . . . . 3.71 111.89 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -23.76 59.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.238 -0.892 . . . . 5.5 111.977 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 23' ' ' VAL . 19.0 m -69.58 -63.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.673 -0.24 . . . . 3.6499999999999999 110.552 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.647 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -69.43 -30.11 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.313 -0.403 . . . . 2.8500000000000001 111.943 -179.024 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.546 ' HA ' HD13 ' A' ' 6' ' ' LEU . 28.9 t -58.24 -47.74 82.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.299 -0.63 . . . . 3.1899999999999999 109.299 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -70.6 -23.82 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.631 -0.713 . . . . 4.4400000000000004 109.56 179.389 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 38' ' ' VAL . 21.2 t -64.94 -50.94 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.711 -0.848 . . . . 2.9100000000000001 108.711 178.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 CA--C 1.535 0.393 0 CA-C-N 115.478 -0.783 . . . . 2.7200000000000002 111.013 178.574 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.746 ' O ' HG13 ' A' ' 38' ' ' VAL . 3.6 m . . . . . 0 N--CA 1.443 -0.821 0 CA-C-O 120.669 0.271 . . . . 2.8599999999999999 111.175 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HA ' HG22 ' A' ' 38' ' ' VAL . 10.9 mtt180 -65.42 -34.19 77.7 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.271 -0.64 . . . . 4.1600000000000001 109.271 -178.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.82 -39.49 94.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.252 -0.885 . . . . 3.5499999999999998 110.924 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HE3' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -83.53 -36.94 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.984 -0.686 . . . . 2.8399999999999999 111.578 -179.56 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.914 HG21 HG11 ' A' ' 23' ' ' VAL . 4.5 m -62.19 -46.15 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 108.446 -0.946 . . . . 2.2599999999999998 108.446 178.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 20.7 mt-10 -62.82 -42.2 99.63 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.443 -0.799 . . . . 3.27 109.614 178.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.81 -55.88 28.68 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.812 -0.81 . . . . 2.8599999999999999 108.812 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.786 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.2 -51.65 51.86 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 113.043 0.757 . . . . 2.8900000000000001 113.043 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.413 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.9 ptp -64.41 -31.87 73.25 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.809 -0.356 . . . . 2.8799999999999999 110.415 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.94 -44.78 63.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.064 0.459 . . . . 3.6000000000000001 111.049 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 0.8 OUTLIER -68.05 -44.32 76.66 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.772 -0.649 . . . . 4.0899999999999999 110.611 -179.213 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.4 mt -80.6 -0.32 37.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.644 -0.707 . . . . 3.71 110.405 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t30 . . . . . 0 N--CA 1.472 0.644 0 C-N-CA 123.571 0.748 . . . . 4.1799999999999997 110.714 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 31.6 p . . . . . 0 CA--C 1.502 -0.89 0 N-CA-C 105.924 -1.88 . . . . 3.1699999999999999 105.924 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.77 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.4 mt -61.03 -21.81 63.96 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 118.088 -1.445 . . . . 2.5600000000000001 109.243 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -37.48 87.61 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.586 -1.188 . . . . 4.2800000000000002 110.289 176.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.06 -44.6 88.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 114.786 -1.097 . . . . 3.77 109.767 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' B' ' 42' ' ' MET . 88.3 t -67.5 -43.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.42 -0.809 . . . . 2.6800000000000002 109.147 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.522 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.07 -47.15 84.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.1 -1.409 . . . . 3.1299999999999999 111.128 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -64.7 -49.44 70.9 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.633 -0.712 . . . . 5.21 109.58 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.749 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 41.9 t80 -61.2 -28.64 69.29 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.871 -1.059 . . . . 3.6200000000000001 111.299 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -84.1 -26.26 29.1 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.601 0.715 . . . . 2.9399999999999999 109.619 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.33 30.18 17.26 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.189 -0.914 . . . . 3.6600000000000001 111.292 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.536 ' HB ' HG21 ' B' ' 19' ' ' THR . 17.3 m -139.9 150.19 22.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.268 -0.966 . . . . 3.5299999999999998 110.853 -176.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -49.26 161.52 0.17 Allowed 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 121.753 0.787 . . . . 4.3799999999999999 111.208 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.77 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 54.8 t80 -54.4 -68.9 0.15 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.725 -1.125 . . . . 3.6200000000000001 109.545 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 1.0 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -61.63 -1.37 0.57 Allowed 'General case' 0 CA--C 1.485 -1.538 0 C-N-CA 124.358 1.063 . . . . 5.04 112.055 176.647 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.536 HG21 ' HB ' ' B' ' 15' ' ' VAL 0.255 88.9 m -65.8 -59.51 3.81 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 102.339 -3.208 . . . . 3.7799999999999998 102.339 173.232 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.957 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 2.0 m -77.22 -34.7 21.63 Favored 'Isoleucine or valine' 0 C--N 1.384 2.094 0 O-C-N 125.38 1.675 . . . . 2.9300000000000002 113.501 175.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' SER . . . . . 1.0 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 62.1 m -59.72 -37.02 77.75 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.696 -0.627 . . . . 3.23 111.742 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.621 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.1 OUTLIER -66.39 -29.81 70.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.039 -1.467 . . . . 5.4000000000000004 107.039 177.886 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.783 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 72.8 t -65.87 -51.7 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 114.41 -1.268 . . . . 3.1800000000000002 108.736 177.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.427 HG21 HD21 ' B' ' 6' ' ' LEU . 88.1 t . . . . . 0 CA--C 1.537 0.458 0 CA-C-N 114.548 -1.205 . . . . 3.1200000000000001 111.883 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' B' ' 35' ' ' ARG . 18.3 mtm180 . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 120.867 0.365 . . . . 3.9100000000000001 110.235 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.0 -36.54 82.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.54 -0.755 . . . . 2.9399999999999999 109.841 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -71.23 -46.41 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.727 -0.67 . . . . 3.1000000000000001 111.316 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.957 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.7 m -68.21 -47.82 76.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.697 -0.229 . . . . 2.3300000000000001 110.73 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.423 ' N ' ' CG2' ' B' ' 38' ' ' VAL . 5.6 mt-10 -62.08 -37.08 83.68 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.104 -0.702 . . . . 3.0 109.104 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.62 -55.51 19.78 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 108.463 -0.94 . . . . 2.6499999999999999 108.463 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.749 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -49.77 -51.0 42.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 113.135 0.791 . . . . 2.6800000000000002 113.135 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.491 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.8 ptp -64.57 -32.72 74.49 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.809 -0.357 . . . . 2.7400000000000002 110.382 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.95 -44.66 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 3.4300000000000002 111.093 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.45 -43.47 76.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.686 -0.688 . . . . 3.8100000000000001 110.45 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 10.0 mt . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.908 -0.587 . . . . 3.4700000000000002 110.77 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.9 p . . . . . 0 N--CA 1.445 -0.714 0 N-CA-C 106.76 -1.57 . . . . 3.5499999999999998 106.76 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.661 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.4 mt -59.2 -25.1 63.68 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 119.813 -0.755 . . . . 2.8500000000000001 111.318 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -65.05 -37.8 88.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.668 0.747 . . . . 4.3899999999999997 110.377 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -65.63 -44.34 86.75 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.344 -1.298 . . . . 4.1299999999999999 109.807 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.44 HG13 ' HB3' ' A' ' 41' ' ' ALA . 87.0 t -68.52 -42.7 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 CA-C-O 121.67 0.748 . . . . 2.9100000000000001 109.15 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.547 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -56.71 -48.47 77.63 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.437 -1.256 . . . . 3.1400000000000001 111.4 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.61 -48.81 65.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.015 -0.539 . . . . 5.2400000000000002 109.839 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.818 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 52.0 t80 -60.27 -29.56 68.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.277 -0.874 . . . . 3.8199999999999998 111.508 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.3 -27.52 29.74 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.764 0.792 . . . . 2.8700000000000001 109.571 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.51 35.12 8.79 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.688 -1.142 . . . . 3.2799999999999998 110.673 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.611 HG21 HG12 ' A' ' 38' ' ' VAL . 6.2 m -139.27 145.79 26.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 114.245 -0.978 . . . . 3.3900000000000001 110.136 -179.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.3 m -55.16 150.98 9.99 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.599 0.714 . . . . 4.3399999999999999 110.397 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.661 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 82.6 t80 -52.53 -52.01 56.86 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.755 -1.112 . . . . 3.71 112.212 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -22.37 66.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.581 -0.736 . . . . 5.5 111.515 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -65.89 -61.53 2.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.976 -0.379 . . . . 3.6499999999999999 109.976 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.554 ' HB ' ' CG1' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -68.34 -29.15 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 2.8500000000000001 111.84 -178.87 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -58.03 -44.64 87.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.078 0.466 . . . . 3.1899999999999999 110.129 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.518 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -71.06 -27.73 63.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.497 0.665 . . . . 4.4400000000000004 109.253 179.609 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.828 HG11 HG21 ' A' ' 38' ' ' VAL . 54.7 t -67.25 -50.92 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 114.734 -1.121 . . . . 2.9100000000000001 110.776 -179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.162 -0.926 . . . . 2.7200000000000002 111.602 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.712 ' O ' HG13 ' A' ' 38' ' ' VAL . 1.7 m . . . . . 0 N--CA 1.44 -0.936 0 N-CA-C 112.094 0.405 . . . . 2.8599999999999999 112.094 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.527 ' O ' HG22 ' A' ' 38' ' ' VAL . 30.4 mtm180 -60.39 -41.5 93.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.995 0.426 . . . . 4.1600000000000001 110.363 -177.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -67.42 -31.77 72.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.587 -0.733 . . . . 3.5499999999999998 110.357 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -72.02 -47.86 48.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 2.8399999999999999 109.891 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.828 HG21 HG11 ' A' ' 23' ' ' VAL . 2.2 m -63.58 -44.17 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.842 -0.799 . . . . 2.2599999999999998 108.842 178.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 15.9 mt-10 -57.54 -47.55 81.73 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.106 -0.952 . . . . 3.27 109.857 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -59.15 -53.35 59.27 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 109.357 -0.609 . . . . 2.8599999999999999 109.357 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.818 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -53.36 -51.81 61.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 113.34 0.867 . . . . 2.8900000000000001 113.34 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.414 ' N ' HG13 ' A' ' 9' ' ' VAL . 14.6 ptp -65.26 -31.92 73.32 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.933 -0.307 . . . . 2.8799999999999999 110.273 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.0 -43.78 70.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.811 0.338 . . . . 3.6000000000000001 110.975 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.715 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 23.6 mm-40 -68.64 -45.39 71.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.23 0.538 . . . . 4.0899999999999999 111.023 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.8 mt -80.84 2.16 27.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.444 -0.798 . . . . 3.71 111.269 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.528 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 1.8 t-20 . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 109.326 -0.62 . . . . 4.1799999999999997 109.326 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 CA--C 1.499 -0.997 0 N-CA-C 106.031 -1.841 . . . . 3.1699999999999999 106.031 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.723 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.4 mt -61.43 -20.86 63.58 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 118.604 -1.239 . . . . 2.5600000000000001 109.677 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.24 -40.27 95.69 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 114.952 -1.022 . . . . 4.2800000000000002 109.51 177.637 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -61.67 -44.23 97.34 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 114.158 -1.383 . . . . 3.77 109.568 -178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' B' ' 42' ' ' MET . 75.7 t -68.77 -42.36 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.357 -0.838 . . . . 2.6800000000000002 109.161 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.521 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.5 -46.42 86.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.314 -1.312 . . . . 3.1299999999999999 111.466 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -49.04 71.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.609 -0.723 . . . . 5.21 109.327 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.805 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.3 t80 -61.65 -27.87 68.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.027 -0.988 . . . . 3.6200000000000001 111.272 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.05 -25.39 25.93 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.556 0.693 . . . . 2.9399999999999999 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.21 31.65 16.33 Favored Glycine 0 CA--C 1.498 -0.997 0 CA-C-N 114.728 -1.124 . . . . 3.6600000000000001 111.598 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.62 ' HB ' HG21 ' B' ' 19' ' ' THR . 6.9 m -139.54 150.53 22.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.611 -0.795 . . . . 3.5299999999999998 111.073 -177.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.3 m -50.55 161.46 0.32 Allowed 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 121.896 0.855 . . . . 4.3799999999999999 111.531 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.723 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 76.0 t80 -57.51 -63.73 1.13 Allowed 'General case' 0 C--O 1.196 -1.742 0 CA-C-N 114.706 -1.134 . . . . 3.6200000000000001 111.634 -179.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.704 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.9 OUTLIER -62.15 10.47 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 126.294 1.837 . . . . 5.04 110.845 167.044 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.62 HG21 ' HB ' ' B' ' 15' ' ' VAL . 23.4 m -78.98 -65.34 1.01 Allowed 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 104.738 -2.319 . . . . 3.7799999999999998 104.738 162.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -76.28 -31.24 20.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 C-N-CA 126.637 1.975 . . . . 2.9300000000000002 113.463 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.704 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 17.8 t -60.31 -40.29 90.05 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 108.531 -0.914 . . . . 3.23 108.531 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -66.31 -32.23 73.5 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.898 -1.149 . . . . 5.4000000000000004 107.898 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.823 HG11 HG21 ' B' ' 38' ' ' VAL . 83.8 t -66.1 -50.9 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 114.108 -1.406 . . . . 3.1800000000000002 109.687 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.448 HG21 HD21 ' B' ' 6' ' ' LEU . 53.6 t . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 114.985 -1.007 . . . . 3.1200000000000001 112.353 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 35' ' ' ARG . 2.6 ttm180 . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 121.032 0.444 . . . . 3.9100000000000001 110.614 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -67.35 -40.75 85.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.474 -0.785 . . . . 2.9399999999999999 111.33 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -71.23 -43.59 67.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.902 -0.59 . . . . 3.1000000000000001 111.223 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -66.85 -44.12 89.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.793 -0.447 . . . . 2.3300000000000001 109.793 179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -61.92 -37.81 86.09 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.323 -0.621 . . . . 3.0 109.323 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -64.42 -53.21 51.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.854 -0.795 . . . . 2.6499999999999999 108.854 177.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.805 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.02 -51.36 57.88 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.525 -0.761 . . . . 2.6800000000000002 112.94 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.43 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.8 ptp -64.78 -32.0 73.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 121.011 -0.276 . . . . 2.7400000000000002 110.549 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.09 -42.01 73.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.382 . . . . 3.4300000000000002 111.049 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.494 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 4.3 mm-40 -69.37 -44.83 70.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.378 0.609 . . . . 3.8100000000000001 110.853 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 7.6 mt . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 115.327 -0.851 . . . . 3.4700000000000002 110.706 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.4 ttp . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 110.135 -0.32 . . . . 8.1099999999999994 110.135 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.661 ' HD2' ' HD2' ' A' ' 3' ' ' PRO . 22.8 tptp -147.52 118.16 4.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.613 -0.267 . . . . 7.29 110.468 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.661 ' HD2' ' HD2' ' A' ' 2' ' ' LYS . 37.3 Cg_endo -67.2 -173.73 0.45 Allowed 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.836 2.357 . . . . 4.3700000000000001 112.139 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.627 HG13 ' HB2' ' A' ' 8' ' ' ASP . 21.9 t -54.48 148.85 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 122.595 1.188 . . . . 3.4500000000000002 113.327 -178.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -124.55 162.13 24.7 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 105.565 -2.013 . . . . 3.5499999999999998 105.565 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.756 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 1.5 mt -60.1 -22.75 63.17 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 119.152 -1.019 . . . . 2.8500000000000001 110.583 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -65.3 -36.95 85.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.316 -0.856 . . . . 4.3899999999999997 110.255 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.627 ' HB2' HG13 ' A' ' 4' ' ' VAL . 19.2 m-20 -65.77 -45.11 83.73 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 114.637 -1.165 . . . . 4.1299999999999999 110.121 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.467 HG13 ' HB3' ' A' ' 41' ' ' ALA . 91.9 t -67.29 -39.93 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 108.81 -0.811 . . . . 2.9100000000000001 108.81 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.614 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -59.54 -48.28 82.28 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.372 -1.286 . . . . 3.1400000000000001 111.057 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.65 -50.14 66.08 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.564 -0.744 . . . . 5.2400000000000002 109.61 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.791 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 53.6 t80 -61.44 -27.81 68.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.84 -1.073 . . . . 3.8199999999999998 111.69 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.535 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.31 -27.3 27.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.862 0.839 . . . . 2.8700000000000001 109.435 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.45 35.11 8.84 Favored Glycine 0 N--CA 1.441 -1.016 0 CA-C-N 114.549 -1.205 . . . . 3.2799999999999998 110.809 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.678 HG11 HG23 ' A' ' 34' ' ' THR . 6.4 m -139.55 147.28 24.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 114.242 -0.979 . . . . 3.3900000000000001 110.348 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.2 m -56.1 151.97 11.35 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.578 0.704 . . . . 4.3399999999999999 110.193 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.739 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 83.1 t80 -53.37 -51.07 63.66 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.816 -1.084 . . . . 3.71 112.117 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' H ' ' HG2' ' A' ' 18' ' ' GLN . 26.4 mm-40 -60.74 -21.22 62.75 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.965 -1.016 . . . . 5.5 111.317 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.7 m -70.11 -62.49 1.36 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.36 -0.382 . . . . 3.6499999999999999 110.434 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -69.46 -29.86 43.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.917 -0.583 . . . . 2.8500000000000001 111.795 -179.078 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.1 t -58.3 -44.82 88.71 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.438 -0.579 . . . . 3.1899999999999999 109.438 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.844 HH11 HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.39 -26.55 62.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.114 -0.698 . . . . 4.4400000000000004 109.114 179.484 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.147 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 42.8 t -66.04 -50.21 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.19 -0.914 . . . . 2.9100000000000001 110.067 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.483 HG12 ' ND2' ' A' ' 25' ' ' ASN . 0.8 OUTLIER -64.4 -17.88 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.15 -0.932 . . . . 2.7200000000000002 111.354 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.483 ' ND2' HG12 ' A' ' 24' ' ' VAL . 14.1 m-80 -105.63 -10.99 16.51 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.308 0.855 . . . . 3.6800000000000002 113.308 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 176.79 -55.63 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.095 0.406 . . . . 6.0800000000000001 112.095 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.147 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 59.07 51.68 6.9 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.076 0.465 . . . . 4.6299999999999999 111.459 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -64.76 -60.81 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.728 -0.669 . . . . 5.0899999999999999 111.512 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -101.56 75.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.085 -0.507 . . . . 5.7999999999999998 110.149 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.844 HG22 HH11 ' A' ' 22' ' ' ARG . 9.0 t -139.34 147.09 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.854 -0.612 . . . . 4.2300000000000004 110.07 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.58 176.58 8.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.978 0.418 . . . . 3.6600000000000001 111.826 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.22 -68.44 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.693 -0.685 . . . . 3.2799999999999998 112.565 -179.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -49.27 -34.99 16.59 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.594 0.59 . . . . 4.5899999999999999 112.594 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.754 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.8 m -60.76 -46.23 91.26 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 121.02 -0.272 . . . . 2.8599999999999999 111.2 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 25.1 mtt180 -65.42 -34.3 77.97 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.19 -0.671 . . . . 4.1600000000000001 109.19 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 31.2 mt-10 -64.76 -42.67 94.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.086 -0.961 . . . . 3.5499999999999998 111.296 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -37.55 52.41 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.128 -0.629 . . . . 2.8399999999999999 111.613 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.063 HG21 HG11 ' A' ' 23' ' ' VAL . 3.3 m -63.65 -47.39 91.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 108.549 -0.908 . . . . 2.2599999999999998 108.549 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 2.8 mt-10 -60.43 -42.94 97.09 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.618 -0.719 . . . . 3.27 109.407 177.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 44' ' ' GLU . . . -61.46 -56.64 17.95 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.256 -0.646 . . . . 2.8599999999999999 109.256 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.791 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -49.95 -51.58 40.2 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 113.265 0.839 . . . . 2.8900000000000001 113.265 -178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.0 ptp -64.44 -32.07 73.55 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.631 -0.428 . . . . 2.8799999999999999 110.318 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.27 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.413 . . . . 3.6000000000000001 111.162 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 1.4 mt-10 -68.61 -44.31 74.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.635 -0.712 . . . . 4.0899999999999999 110.806 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -80.6 -0.56 38.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.548 . . . . 3.71 110.867 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 1.7 t-20 74.48 -47.85 0.64 Allowed 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.704 0.628 . . . . 4.1799999999999997 109.789 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.756 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.1 t80 59.58 96.6 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.116 -0.947 . . . . 3.1000000000000001 113.346 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.487 HD11 HD22 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -129.25 109.69 17.92 Favored Pre-proline 0 N--CA 1.447 -0.622 0 N-CA-C 107.773 -1.195 . . . . 3.7000000000000002 107.773 177.213 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.93 -70.45 0.03 OUTLIER 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.318 2.679 . . . . 3.6000000000000001 114.297 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.487 HD22 HD11 ' A' ' 48' ' ' ILE . 0.6 OUTLIER 63.36 40.68 8.3 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.236 0.541 . . . . 5.1399999999999997 110.116 -178.494 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HD2' " O4'" ' D' ' 10' ' ' ' DA' . 0.0 OUTLIER -88.07 11.5 15.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.845 -0.616 . . . . 9.0 111.393 -179.188 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 75.0 m -111.87 -91.59 0.48 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.469 -0.332 . . . . 5.8700000000000001 110.562 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -173.37 72.86 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.115 0.483 . . . . 7.9500000000000002 110.622 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -106.72 -67.9 0.92 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.848 -0.614 . . . . 10.550000000000001 110.177 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.12 -4.11 2.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.899 0.38 . . . . 13.16 110.928 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.2 tp -90.4 91.34 8.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.234 -0.439 . . . . 12.140000000000001 110.577 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.42 -76.21 0.29 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.062 -0.517 . . . . 14.140000000000001 110.982 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.65 122.91 23.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.049 -0.595 . . . . 16.039999999999999 112.234 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.518 ' HE2' H5'' ' C' ' 13' ' ' ' DT' . 31.6 mtmm -130.01 -65.92 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.626 0.251 . . . . 17.800000000000001 110.863 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.498 ' HG3' ' HG ' ' A' ' 62' ' ' LEU . 48.0 tp60 -124.73 127.15 46.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.813 0.339 . . . . 19.609999999999999 110.391 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.68 99.43 9.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.169 -0.468 . . . . 20.57 110.884 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.629 ' HB2' " H4'" ' C' ' 14' ' ' ' DT' . 92.9 mt . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.289 -0.414 . . . . 21.890000000000001 110.079 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.1 ttm . . . . . 0 C--O 1.233 0.235 0 CA-C-O 121.144 0.497 . . . . 10.35 110.787 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -118.79 85.28 27.55 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.481 . . . . 8.3300000000000001 110.129 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.49 -52.25 0.14 Allowed 'Trans proline' 0 CA--C 1.515 -0.475 0 C-N-CA 123.12 2.546 . . . . 4.4900000000000002 113.076 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.576 HG13 ' HB2' ' B' ' 8' ' ' ASP . 21.3 t -133.77 144.54 35.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 122.464 1.126 . . . . 3.1600000000000001 112.437 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.533 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.2 OUTLIER -116.81 155.55 28.78 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 104.885 -2.265 . . . . 3.1699999999999999 104.885 175.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.824 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.1 mt -59.99 -20.37 57.36 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 118.722 -1.191 . . . . 2.5600000000000001 110.59 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -37.2 86.38 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.284 -0.871 . . . . 4.2800000000000002 109.999 177.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.576 ' HB2' HG13 ' B' ' 4' ' ' VAL . 30.3 m-20 -65.44 -44.73 86.4 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 114.067 -1.424 . . . . 3.77 110.472 -178.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.405 HG13 ' N ' ' B' ' 42' ' ' MET . 89.9 t -67.46 -40.13 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 108.634 -0.876 . . . . 2.6800000000000002 108.634 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.547 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -59.96 -46.98 87.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.15 -1.386 . . . . 3.1299999999999999 111.318 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -65.99 -49.46 67.72 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.302 0.572 . . . . 5.21 109.636 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.842 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 42.4 t80 -59.81 -28.18 67.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.065 -0.971 . . . . 3.6200000000000001 111.274 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.417 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -86.66 -26.48 24.32 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.283 -0.636 . . . . 2.9399999999999999 109.283 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.38 33.37 10.52 Favored Glycine 0 CA--C 1.499 -0.932 0 CA-C-N 115.069 -0.969 . . . . 3.6600000000000001 111.212 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.636 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.0 m -139.85 151.4 22.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 114.679 -0.761 . . . . 3.5299999999999998 112.078 -176.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.551 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -51.1 156.59 1.04 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.536 0.684 . . . . 4.3799999999999999 109.755 178.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.824 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 90.4 t80 -56.62 -58.31 8.6 Favored 'General case' 0 CA--C 1.49 -1.363 0 CA-C-N 115.475 -0.784 . . . . 3.6200000000000001 109.373 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.862 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -72.69 7.74 1.79 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 120.393 -0.523 . . . . 5.04 111.571 178.571 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.636 HG21 ' HB ' ' B' ' 15' ' ' VAL . 22.4 m -72.5 -62.62 1.38 Allowed 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 101.996 -3.335 . . . . 3.7799999999999998 101.996 170.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.764 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 0.8 OUTLIER -74.89 -35.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 113.085 -1.871 . . . . 2.9300000000000002 113.604 178.338 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.862 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 73.9 m -60.39 -34.98 74.68 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.167 0.508 . . . . 3.23 110.4 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -33.39 74.64 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.137 -1.431 . . . . 5.4000000000000004 107.137 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.921 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 43.0 t -65.66 -49.84 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.034 -1.439 . . . . 3.1800000000000002 109.387 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.97 -20.23 26.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.847 -1.07 . . . . 3.1200000000000001 111.851 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 9.3 m-80 -97.68 -10.52 24.86 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.94 -0.704 . . . . 4.0700000000000003 112.724 -176.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.44 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 14.0 pt20 163.63 -44.48 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.115 0.566 . . . . 6.0300000000000002 111.36 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.921 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 52.46 45.06 29.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.776 0.83 . . . . 4.4800000000000004 112.526 -178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.2 p -77.66 -11.15 59.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.42 0.629 . . . . 5.6900000000000004 110.606 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -135.4 85.17 2.15 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.652 -0.703 . . . . 6.5300000000000002 109.9 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.454 ' HA ' " H3'" ' D' ' 2' ' ' ' DG' . 3.6 m -158.89 -171.4 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 C-N-CA 122.869 0.467 . . . . 4.4299999999999997 110.764 -178.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 6.3 p -112.84 174.09 6.07 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.74 -0.664 . . . . 3.96 109.816 177.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -68.54 -64.11 0.93 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.357 0.503 . . . . 3.3100000000000001 112.357 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -49.36 -35.36 18.39 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.991 0.737 . . . . 4.9000000000000004 112.991 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.714 ' O ' HG13 ' B' ' 38' ' ' VAL . 92.4 m -61.57 -50.71 71.54 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 111.823 0.305 . . . . 3.1299999999999999 111.823 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.47 ' O ' HG22 ' B' ' 38' ' ' VAL . 40.5 mtm-85 -61.58 -40.15 93.74 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 121.01 0.433 . . . . 3.9100000000000001 110.758 -178.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 20.4 mt-10 -68.07 -32.66 73.16 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.644 -0.707 . . . . 2.9399999999999999 111.256 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -73.5 -44.33 58.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 3.1000000000000001 110.38 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.805 HG21 HG11 ' B' ' 23' ' ' VAL . 2.8 m -68.01 -42.7 85.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.062 -0.718 . . . . 2.3300000000000001 109.062 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 4.6 mt-10 -57.6 -44.15 85.22 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.334 -0.848 . . . . 3.0 109.546 177.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -63.44 -52.03 63.17 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 109.368 -0.605 . . . . 2.6499999999999999 109.368 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.842 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.87 -52.0 58.99 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.345 0.869 . . . . 2.6800000000000002 113.345 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.418 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 15.3 ptp -64.32 -31.8 73.14 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 121.164 -0.214 . . . . 2.7400000000000002 110.508 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.11 -42.42 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 3.4300000000000002 111.229 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 54.3 mm-40 -69.78 -44.89 69.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.432 0.634 . . . . 3.8100000000000001 111.037 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.0 mt -80.2 1.05 29.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.288 -0.869 . . . . 3.4700000000000002 110.803 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 t30 74.64 -51.81 0.68 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.449 0.7 . . . . 4.3899999999999997 109.971 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.766 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 6.7 t80 51.21 98.45 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 O-C-N 124.108 0.88 . . . . 2.9700000000000002 112.917 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.412 ' H ' HD13 ' B' ' 48' ' ' ILE . 0.2 OUTLIER -75.11 154.17 86.47 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.344 -0.843 . . . . 3.9700000000000002 110.339 179.553 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.73 54.37 2.5 Favored 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 122.879 2.386 . . . . 3.6600000000000001 113.126 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' B' ' 56' ' ' LEU . 63.5 t30 -153.86 72.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.185 0.517 . . . . 5.1100000000000003 110.23 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.71 ' HD2' HD12 ' B' ' 6' ' ' LEU . 7.7 ptt180 -73.77 -42.59 60.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.049 -0.523 . . . . 8.3200000000000003 109.9 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.582 ' HB3' " H4'" ' C' ' 11' ' ' ' DT' . 1.4 p -95.85 -100.14 0.17 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.771 -0.65 . . . . 6.1200000000000001 110.32 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -161.88 82.27 0.57 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 121.164 0.507 . . . . 7.4400000000000004 110.568 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -88.45 -55.8 3.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.626 -0.715 . . . . 10.52 110.672 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -134.39 19.89 3.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.055 -0.521 . . . . 12.48 110.278 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.442 ' HB3' ' ND2' ' B' ' 50' ' ' ASN . 1.3 tm? -163.24 123.23 2.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.577 -0.738 . . . . 11.92 109.362 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.442 ' HB1' H5'' ' D' ' 12' ' ' ' DC' . . . -129.42 -174.8 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.361 -0.381 . . . . 12.460000000000001 110.877 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.22 136.47 5.34 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.002 -0.618 . . . . 14.220000000000001 112.065 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -161.52 143.52 11.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.602 0.239 . . . . 16.629999999999999 110.678 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -152.87 162.67 41.01 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.571 -0.529 . . . . 18.329999999999998 109.571 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.624 ' HB2' H5'' ' C' ' 9' ' ' ' DT' . 7.5 t -146.48 -177.06 5.43 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.792 -0.447 . . . . 19.620000000000001 109.792 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 C--O 1.246 0.911 0 O-C-N 123.904 0.753 . . . . 21.170000000000002 110.89 179.86 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.499 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.594 0 O4'-C1'-C2' 107.043 0.857 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.413 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-N19 109.165 1.706 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O3'-P-O5' 101.055 -1.55 . . . . 5.9000000000000004 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-N19 109.163 1.703 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 O3'-P-O5' 100.345 -1.923 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O3'-P-O5' 100.276 -1.96 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O3'-P-O5' 100.23 -1.984 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O3'-P-O5' 100.312 -1.941 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.624 H5'' ' HB2' ' B' ' 61' ' ' SER . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O3'-P-O5' 100.047 -2.081 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.45 ' C8 ' ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.122 0 O3'-P-O5' 100.186 -2.007 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.582 " H4'" ' HB3' ' B' ' 52' ' ' CYS . . . . . . . . 0 O3'--C3' 1.419 -0.897 0 C5'-C4'-C3' 111.015 -2.457 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.425 ' OP2' H2'' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.417 -1.107 0 O3'-P-O5' 98.715 -2.782 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.518 H5'' ' HE2' ' A' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.422 -1.148 0 C5'-C4'-C3' 111.719 -1.988 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.629 " H4'" ' HB2' ' A' ' 62' ' ' LEU . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O3'-P-O5' 99.766 -2.228 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 O3'-P-O5' 100.159 -2.022 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 O3'-P-O5' 100.637 -1.77 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O4'-C1'-N19 108.883 1.354 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.222 1.02 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.561 0 O4'-C1'-N19 108.797 1.246 . . . . 7.4000000000000004 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.454 " H3'" ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.423 -1.062 0 O4'-C1'-N19 109.043 1.554 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-N19 109.242 1.803 . . . . 6.2400000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.42 -0.826 0 O3'-P-O5' 99.941 -2.136 . . . . 6.2199999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O3'-P-O5' 100.753 -1.709 . . . . 7.4699999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.091 0 O3'-P-O5' 100.356 -1.918 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.418 -1.0 0 O3'-P-O5' 99.626 -2.302 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.076 0 O3'-P-O5' 99.885 -2.166 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.052 0 O3'-P-O5' 99.768 -2.227 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . 0.493 " O4'" ' HD2' ' A' ' 51' ' ' ARG . . . . . . . . 0 O5'--C5' 1.422 -1.14 0 O3'-P-O5' 99.826 -2.197 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.114 0 O3'-P-O5' 99.361 -2.442 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.442 H5'' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O3'--C3' 1.417 -1.061 0 O3'-P-O5' 99.692 -2.267 . . . . 4.5800000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.091 0 O3'-P-O5' 99.92 -2.148 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O3'-P-O5' 99.963 -2.125 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . 0.406 " C2'" ' H72' ' D' ' 16' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O3'-P-O5' 100.501 -1.841 . . . . 8.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . 0.406 ' H72' " C2'" ' D' ' 15' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.991 0 O4'-C1'-N19 109.233 1.791 . . . . 8.9100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O3'-P-O5' 101.424 -1.356 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 107.071 0.883 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.855 0.36 . . . . 8.1099999999999994 110.687 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -88.01 141.65 31.51 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 7.29 110.614 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -86.82 -109.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.773 2.316 . . . . 4.3700000000000001 112.146 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.654 HG13 ' HB2' ' A' ' 8' ' ' ASP . 39.7 t -139.04 146.25 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.804 0.811 . . . . 3.4500000000000002 110.908 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.3 p -121.96 163.5 19.21 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 105.711 -1.959 . . . . 3.5499999999999998 105.711 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.777 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.3 mt -59.78 -21.63 61.06 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 118.954 -1.099 . . . . 2.8500000000000001 110.562 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -64.79 -38.78 92.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.273 -0.876 . . . . 4.3899999999999997 110.632 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.654 ' HB2' HG13 ' A' ' 4' ' ' VAL . 16.4 m-20 -64.62 -45.59 86.21 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 114.413 -1.267 . . . . 4.1299999999999999 110.423 -177.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.471 HG13 ' HB3' ' A' ' 41' ' ' ALA . 84.1 t -68.09 -41.48 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 CA-C-N 115.535 -0.757 . . . . 2.9100000000000001 109.092 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.615 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.65 -49.17 77.35 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.422 -1.263 . . . . 3.1400000000000001 111.585 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -67.2 -47.85 69.68 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.729 -0.668 . . . . 5.2400000000000002 109.777 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.782 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 49.3 t80 -61.48 -30.08 70.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.801 -0.636 . . . . 3.8199999999999998 111.445 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -81.63 -27.29 34.21 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.839 0.828 . . . . 2.8700000000000001 109.851 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.06 34.02 9.17 Favored Glycine 0 N--CA 1.44 -1.095 0 CA-C-N 114.629 -1.168 . . . . 3.2799999999999998 110.702 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.851 HG11 HG23 ' A' ' 34' ' ' THR . 4.7 m -139.25 146.83 25.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.143 -1.028 . . . . 3.3900000000000001 110.242 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 m -54.88 151.0 9.18 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.612 0.72 . . . . 4.3399999999999999 110.809 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.611 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 58.1 t80 -52.51 -51.78 57.83 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 114.518 -1.219 . . . . 3.71 111.894 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -24.46 66.65 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.699 -1.137 . . . . 5.5 112.134 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -67.4 -60.86 2.23 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.818 0.342 . . . . 3.6499999999999999 110.861 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.615 HG11 ' HA ' ' A' ' 10' ' ' ALA . 1.4 m -68.02 -28.54 41.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.034 -0.53 . . . . 2.8500000000000001 112.03 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.2 m -55.85 -43.72 77.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.239 0.542 . . . . 3.1899999999999999 109.697 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.527 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . 19.1 mtt180 -70.62 -29.39 65.76 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.581 -0.736 . . . . 4.4400000000000004 109.718 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.949 HG11 HG21 ' A' ' 38' ' ' VAL . 88.9 t -65.41 -44.21 94.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.106 -0.952 . . . . 2.9100000000000001 110.022 -179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.88 -20.82 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.498 0.666 . . . . 2.7200000000000002 109.834 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 16.2 m-80 -102.0 4.59 40.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.722 -0.672 . . . . 3.6800000000000002 110.845 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 47.1 mt-30 86.77 -41.09 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.474 1.11 . . . . 6.0800000000000001 110.916 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . . . 63.5 -121.34 0.55 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.782 0.676 . . . . 4.6299999999999999 112.098 178.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.5 p -166.22 -50.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.178 0.513 . . . . 5.0899999999999999 111.362 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.6 ' HB3' ' OP2' ' C' ' 2' ' ' ' DG' . 53.5 m80 -99.89 -131.53 0.24 Allowed 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.874 -0.603 . . . . 5.7999999999999998 109.981 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG13 ' OP2' ' C' ' 3' ' ' ' DA' . 33.6 t 73.93 150.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 115.32 -0.854 . . . . 4.2300000000000004 111.147 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.05 175.43 10.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 3.6600000000000001 112.259 -178.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.508 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.94 -64.41 0.91 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.608 -0.724 . . . . 3.2799999999999998 112.566 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -50.07 -34.28 21.18 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.813 0.671 . . . . 4.5899999999999999 112.813 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.851 HG23 HG11 ' A' ' 15' ' ' VAL . 31.6 m -64.72 -44.08 91.34 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 121.176 -0.209 . . . . 2.8599999999999999 111.056 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HG3' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -63.01 -38.43 91.16 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 109.268 -0.642 . . . . 4.1600000000000001 109.268 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 38.5 mt-10 -68.63 -34.23 75.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.763 -1.108 . . . . 3.5499999999999998 110.526 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -70.57 -46.39 63.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.841 -0.618 . . . . 2.8399999999999999 110.754 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.949 HG21 HG11 ' A' ' 23' ' ' VAL . 2.3 m -65.43 -44.91 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.478 -0.564 . . . . 2.2599999999999998 109.478 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.57 -41.22 97.08 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.724 -0.671 . . . . 3.27 109.362 178.752 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.57 -56.22 22.27 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.414 -0.958 . . . . 2.8599999999999999 108.414 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.782 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.67 -51.4 49.66 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 113.246 0.832 . . . . 2.8900000000000001 113.246 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.414 ' N ' HG13 ' A' ' 9' ' ' VAL . 16.0 ptp -64.73 -32.39 74.04 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.865 -0.334 . . . . 2.8799999999999999 110.445 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.93 65.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.423 . . . . 3.6000000000000001 111.156 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.09 -44.53 72.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.799 -0.637 . . . . 4.0899999999999999 110.895 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.1 mt -80.97 0.42 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.922 -0.581 . . . . 3.71 110.998 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 73.33 -45.82 0.62 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.601 0.76 . . . . 4.1799999999999997 110.244 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.777 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.3 t80 54.09 87.09 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.798 0.808 . . . . 3.1000000000000001 112.122 178.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.414 HD11 ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -110.86 112.51 55.84 Favored Pre-proline 0 N--CA 1.446 -0.627 0 CA-C-N 115.251 -0.886 . . . . 3.7000000000000002 108.754 178.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -79.66 100.79 1.33 Allowed 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.798 2.332 . . . . 3.6000000000000001 113.397 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' HB2' HD11 ' A' ' 48' ' ' ILE . 9.7 t30 -129.03 78.61 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.852 -0.613 . . . . 5.1399999999999997 109.808 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.4 ttt-85 -99.71 48.27 0.94 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.851 -0.613 . . . . 9.0 110.419 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.35 109.17 4.23 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.999 0.904 . . . . 5.8700000000000001 110.215 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -108.51 177.13 4.88 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 113.835 -1.529 . . . . 7.9500000000000002 110.733 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.402 HE22 ' HG2' ' B' ' 54' ' ' GLN . 0.0 OUTLIER -112.51 -31.3 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.245 0.545 . . . . 10.550000000000001 110.377 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.56 -49.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.476 -0.783 . . . . 13.16 110.172 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.9 tp -179.76 -78.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.391 -0.822 . . . . 12.140000000000001 108.868 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.31 128.0 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.668 -0.696 . . . . 14.140000000000001 109.762 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.35 53.45 0.2 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.447 -0.882 . . . . 16.039999999999999 112.494 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt 64.86 -140.66 0.23 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 122.645 0.378 . . . . 17.800000000000001 111.03 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -98.18 9.97 41.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.079 0.466 . . . . 19.609999999999999 110.622 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.79 139.17 44.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 20.57 111.208 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 21.890000000000001 110.839 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ptp . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.068 0.461 . . . . 10.35 110.554 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -160.25 116.27 1.46 Allowed Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.659 -0.7 . . . . 8.3300000000000001 110.291 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -72.89 -178.92 3.79 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.288 1.992 . . . . 4.4900000000000002 111.0 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.63 HG13 ' HB2' ' B' ' 8' ' ' ASP . 60.1 t -70.23 138.53 21.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 122.251 1.024 . . . . 3.1600000000000001 111.107 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.677 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.1 OUTLIER -107.84 153.45 22.99 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 104.761 -2.311 . . . . 3.1699999999999999 104.761 176.535 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 1.13 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.3 mt -59.16 -21.23 59.06 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.849 -1.14 . . . . 2.5600000000000001 110.452 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.47 -36.34 83.43 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.898 -1.046 . . . . 4.2800000000000002 109.724 177.122 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.63 ' HB2' HG13 ' B' ' 4' ' ' VAL . 37.7 m-20 -65.88 -44.05 86.46 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.423 -1.262 . . . . 3.77 110.101 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' B' ' 42' ' ' MET . 79.7 t -67.58 -41.02 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.923 0.868 . . . . 2.6800000000000002 109.014 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.57 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.8 -47.54 85.86 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.13 -1.396 . . . . 3.1299999999999999 111.376 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.92 -48.65 73.39 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.68 -0.691 . . . . 5.21 109.252 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.826 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.4 t80 -60.87 -27.55 68.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.103 -0.953 . . . . 3.6200000000000001 111.636 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.437 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -86.67 -25.68 24.7 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.51 0.672 . . . . 2.9399999999999999 109.354 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.83 31.14 15.94 Favored Glycine 0 CA--C 1.496 -1.123 0 CA-C-N 115.031 -0.986 . . . . 3.6600000000000001 111.624 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.593 ' HB ' HG21 ' B' ' 19' ' ' THR . 13.5 m -139.89 151.38 21.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.621 -0.79 . . . . 3.5299999999999998 110.395 -176.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -50.82 156.41 0.97 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.475 0.655 . . . . 4.3799999999999999 110.653 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.804 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 59.6 t80 -51.5 -58.67 5.65 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 115.416 -0.811 . . . . 3.6200000000000001 109.315 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.701 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.4 8.72 2.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.889 0.852 . . . . 5.04 112.621 179.547 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.593 HG21 ' HB ' ' B' ' 15' ' ' VAL . 52.2 m -74.46 -57.38 3.97 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 102.432 -3.173 . . . . 3.7799999999999998 102.432 173.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.851 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -78.77 -34.68 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 111.995 -2.366 . . . . 2.9300000000000002 113.22 175.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.701 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 20.1 m -64.94 -28.88 69.82 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 120.704 -1.247 . . . . 3.23 109.09 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.662 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 5.8 ttt180 -64.73 -36.01 82.92 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 106.952 -1.499 . . . . 5.4000000000000004 106.952 176.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.786 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 82.8 t -62.72 -52.97 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 113.76 -1.563 . . . . 3.1800000000000002 109.344 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -68.91 -20.31 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.348 -0.842 . . . . 3.1200000000000001 111.91 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.553 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 0.9 OUTLIER -95.15 8.58 42.59 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 122.197 -0.314 . . . . 4.0700000000000003 110.627 -178.524 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.553 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 0.8 OUTLIER 87.94 74.16 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.649 0 O-C-N 124.332 1.02 . . . . 6.0300000000000002 108.354 178.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.677 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -69.87 103.01 2.09 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.572 -1.649 . . . . 4.4800000000000004 112.478 -177.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.99 -15.02 42.82 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.941 0.401 . . . . 5.6900000000000004 110.61 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.651 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 35.0 m-70 -137.38 91.34 2.6 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.407 -0.361 . . . . 6.5300000000000002 111.188 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.678 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 4.5 m -149.25 177.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.667 -0.697 . . . . 4.4299999999999997 110.256 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 15.6 m -114.81 163.39 15.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.684 0.278 . . . . 3.96 111.055 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.621 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -55.36 -68.38 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.549 -0.75 . . . . 3.3100000000000001 112.7 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.5 ' O ' ' HD3' ' B' ' 37' ' ' LYS . 22.2 pttt -46.69 -39.36 11.32 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.29 0.478 . . . . 4.9000000000000004 112.29 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.709 ' O ' HG13 ' B' ' 38' ' ' VAL . 9.4 m -59.52 -50.29 74.5 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 121.051 -0.26 . . . . 3.1299999999999999 110.734 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.517 ' HA ' HG22 ' B' ' 38' ' ' VAL . 22.9 mtm180 -64.13 -35.19 79.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.354 -0.385 . . . . 3.9100000000000001 110.071 -178.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 59.1 mt-10 -65.16 -36.32 83.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.989 -0.551 . . . . 2.9399999999999999 110.385 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.5 ' HD3' ' O ' ' B' ' 33' ' ' LYS . 7.2 mtpp -78.43 -43.69 26.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.953 -0.567 . . . . 3.1000000000000001 110.998 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.851 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.5 m -66.7 -45.14 88.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.737 -0.468 . . . . 2.3300000000000001 109.737 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 11.0 mt-10 -59.7 -42.97 94.19 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.06 -0.719 . . . . 3.0 109.06 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.714 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.93 -54.3 43.74 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.151 -0.685 . . . . 2.6499999999999999 109.151 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.826 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.38 -51.54 53.71 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 113.077 0.769 . . . . 2.6800000000000002 113.077 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 17.0 ptp -65.29 -32.79 74.63 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 120.795 -0.362 . . . . 2.7400000000000002 110.271 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.73 -42.45 70.54 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.9 0.381 . . . . 3.4300000000000002 111.546 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.714 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.1 mm-40 -68.76 -44.56 73.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.925 -0.579 . . . . 3.8100000000000001 110.475 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.5 mt -81.04 1.08 32.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.432 -0.804 . . . . 3.4700000000000002 110.406 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.3 t30 75.3 -57.23 0.6 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.759 0.824 . . . . 4.3899999999999997 109.814 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 1.13 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 11.2 t80 53.01 107.86 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 O-C-N 124.12 0.888 . . . . 2.9700000000000002 113.107 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.11 150.18 52.87 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.09 -0.959 . . . . 3.9700000000000002 110.843 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.59 140.91 93.63 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.689 2.259 . . . . 3.6600000000000001 112.597 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -148.47 94.3 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.899 -0.591 . . . . 5.1100000000000003 110.009 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -157.52 81.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.913 -0.585 . . . . 8.3200000000000003 109.937 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.1 m -82.12 -65.93 0.95 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.164 -0.471 . . . . 6.1200000000000001 111.282 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 52' ' ' CYS . . . 64.73 -157.51 0.3 Allowed 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 123.499 0.499 . . . . 7.4400000000000004 110.429 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.402 ' HG2' HE22 ' A' ' 54' ' ' GLN . 5.6 pt20 -132.56 10.3 4.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.1 0.476 . . . . 10.52 110.53 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.446 ' HG3' HD12 ' B' ' 56' ' ' LEU . 3.2 pt20 -161.33 19.43 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.84 -0.618 . . . . 12.48 110.719 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.446 HD12 ' HG3' ' B' ' 55' ' ' GLN . 3.8 mp -133.97 30.1 3.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 11.92 110.332 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.3 116.08 10.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.787 -0.642 . . . . 12.460000000000001 110.561 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.04 -82.03 1.38 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.863 -0.684 . . . . 14.220000000000001 111.604 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -129.26 -75.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.966 -0.383 . . . . 16.629999999999999 109.966 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -140.26 152.4 45.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.318 -0.401 . . . . 18.329999999999998 110.361 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 3.7 m -124.81 151.98 44.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.441 -0.345 . . . . 19.620000000000001 110.506 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.253 -0.879 . . . . 21.170000000000002 110.291 -179.829 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.469 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.59 0 O4'-C1'-N19 108.723 1.154 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.6 ' OP2' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.423 -1.074 0 O4'-C1'-N19 109.585 2.231 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.423 ' OP2' HG13 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 109.097 1.621 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-N19 109.214 1.767 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-N19 108.801 1.252 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-N19 109.411 2.013 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-N19 109.655 2.319 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.433 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 109.149 1.686 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.433 ' H72' " C2'" ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O3'-P-O5' 101.198 -1.475 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.412 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-N19 109.195 1.743 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.677 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O3'--C3' 1.419 -0.912 0 O4'-C1'-N19 109.617 2.271 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O3'-P-O5' 99.322 -2.462 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.414 " C2'" ' H72' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O3'-P-O5' 99.867 -2.175 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.414 ' H72' " C2'" ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 O3'-P-O5' 100.707 -1.733 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.039 0 O4'-C1'-N19 109.133 1.667 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O3'-P-O5' 100.453 -1.867 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.016 0 O3'-P-O5' 101.511 -1.31 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 N19-C1'-C2' 115.78 0.988 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 O4'-C1'-C2' 107.027 0.843 . . . . 7.4000000000000004 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.651 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.423 -1.061 0 O4'-C1'-N19 109.605 2.257 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.678 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.422 -1.1 0 O4'-C1'-N19 110.027 2.784 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.492 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.613 0 O3'-P-O5' 99.925 -2.145 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . 0.406 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-N19 108.725 1.157 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.538 2.173 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O4'-C1'-N19 109.536 2.17 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 109.156 1.695 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.408 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O3'-P-O5' 100.749 -1.711 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . 0.478 ' C8 ' ' H72' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O3'-P-O5' 101.315 -1.413 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . 0.478 ' H72' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C1'-N19 109.67 2.337 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 O4'-C1'-N19 109.464 2.08 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O3'-P-O5' 100.364 -1.914 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-N19 109.232 1.79 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 O4'-C1'-N19 109.179 1.724 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-N19 109.158 1.698 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O3'-P-O5' 101.645 -1.239 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 O4'-C1'-C2' 107.123 0.93 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.462 -0.199 . . . . 8.1099999999999994 110.462 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -55.93 126.03 64.69 Favored Pre-proline 0 C--O 1.232 0.181 0 O-C-N 123.341 0.401 . . . . 7.29 110.965 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.48 111.61 0.88 Allowed 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.761 2.308 . . . . 4.3700000000000001 111.355 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.764 HG13 ' HB2' ' A' ' 8' ' ' ASP . 62.1 t -73.68 144.12 12.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 122.094 0.95 . . . . 3.4500000000000002 111.394 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.521 HG22 ' OP1' ' D' ' 11' ' ' ' DT' . 0.0 OUTLIER -114.55 159.97 19.79 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 105.809 -1.923 . . . . 3.5499999999999998 105.809 177.124 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.754 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 3.1 mt -58.08 -24.36 58.27 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 119.653 -0.819 . . . . 2.8500000000000001 112.056 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -64.87 -36.76 85.4 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.867 0.841 . . . . 4.3899999999999997 110.497 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.764 ' HB2' HG13 ' A' ' 4' ' ' VAL . 1.1 m-20 -65.58 -46.04 80.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.022 -1.445 . . . . 4.1299999999999999 110.046 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.496 HG13 ' HB3' ' A' ' 41' ' ' ALA . 87.2 t -67.81 -40.88 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 115.339 -0.846 . . . . 2.9100000000000001 109.393 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.563 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.69 -46.86 86.32 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.511 -1.222 . . . . 3.1400000000000001 111.594 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -49.16 64.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.465 0.65 . . . . 5.2400000000000002 109.427 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.767 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.4 t80 -61.79 -27.59 68.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.707 -1.133 . . . . 3.8199999999999998 111.653 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.435 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.62 -27.66 27.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.631 0.729 . . . . 2.8700000000000001 109.573 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.91 34.56 8.86 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 114.85 -1.068 . . . . 3.2799999999999998 110.997 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.781 HG11 HG23 ' A' ' 34' ' ' THR . 4.3 m -139.66 147.05 24.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.391 -0.904 . . . . 3.3900000000000001 110.075 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 m -56.14 149.2 16.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.999 -0.68 . . . . 4.3399999999999999 110.688 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.675 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 76.3 t80 -49.68 -51.03 41.14 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.603 -1.18 . . . . 3.71 112.079 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.435 ' NE2' ' N7 ' ' C' ' 5' ' ' ' DA' . 0.0 OUTLIER -61.96 -23.67 66.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.104 -0.953 . . . . 5.5 111.903 -179.21 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.8 m -67.1 -61.6 1.85 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.851 0.358 . . . . 3.6499999999999999 110.063 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.563 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.05 -29.05 41.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.888 -0.596 . . . . 2.8500000000000001 111.305 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.3 t -58.77 -41.41 86.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.359 -0.608 . . . . 3.1899999999999999 109.359 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -31.19 68.83 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.754 -0.832 . . . . 4.4400000000000004 108.754 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.05 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 76.8 t -66.69 -50.66 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 114.416 -1.265 . . . . 2.9100000000000001 110.588 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -65.06 -18.36 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.17 -0.923 . . . . 2.7200000000000002 111.55 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -104.78 -11.58 16.74 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.21 0.819 . . . . 3.6800000000000002 113.21 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.42 -58.44 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.558 0.577 . . . . 6.0800000000000001 112.558 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.05 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 56.1 48.34 17.77 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.232 0.539 . . . . 4.6299999999999999 111.211 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 t -74.61 -16.95 60.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 5.0899999999999999 110.393 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -143.36 99.19 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.184 -0.673 . . . . 5.7999999999999998 109.184 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG11 ' HB1' ' A' ' 27' ' ' ALA . 7.5 p -167.28 158.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.829 -0.623 . . . . 4.2300000000000004 110.092 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 30' ' ' VAL . 9.4 m -72.61 171.37 12.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.355 0.597 . . . . 3.6600000000000001 112.01 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.13 -68.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.211 -0.904 . . . . 3.2799999999999998 111.875 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -52.3 -32.27 36.84 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.28 0.474 . . . . 4.5899999999999999 112.28 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.781 HG23 HG11 ' A' ' 15' ' ' VAL . 10.6 m -60.77 -47.27 87.09 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 121.033 -0.267 . . . . 2.8599999999999999 111.447 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.45 ' O ' HG22 ' A' ' 38' ' ' VAL . 43.4 mtm180 -64.57 -38.5 91.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.205 0.526 . . . . 4.1600000000000001 109.598 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 24.8 mt-10 -67.38 -33.22 74.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.038 -0.983 . . . . 3.5499999999999998 110.714 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -75.7 -43.87 45.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.98 -0.554 . . . . 2.8399999999999999 110.744 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.992 HG21 HG11 ' A' ' 23' ' ' VAL . 3.0 m -64.55 -46.87 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.325 -0.62 . . . . 2.2599999999999998 109.325 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.7 mt-10 -61.44 -41.13 96.73 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.004 -0.543 . . . . 3.27 109.543 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.31 -57.14 13.54 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 108.637 -0.875 . . . . 2.8599999999999999 108.637 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.767 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.21 -51.3 45.28 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 113.085 0.772 . . . . 2.8900000000000001 113.085 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.436 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.4 ptp -64.16 -32.24 73.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.743 -0.383 . . . . 2.8799999999999999 110.401 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.17 -47.15 52.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.946 0.403 . . . . 3.6000000000000001 110.804 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -66.76 -40.12 88.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.681 -0.691 . . . . 4.0899999999999999 110.117 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.6 mt -81.53 -0.77 43.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 3.71 110.708 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 74.25 -48.0 0.65 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.526 0.73 . . . . 4.1799999999999997 111.08 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.754 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.4 t80 49.9 76.01 0.15 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.649 0.738 . . . . 3.1000000000000001 111.589 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.7 tp -85.33 135.64 38.68 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.127 -0.942 . . . . 3.7000000000000002 111.993 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -93.68 -163.94 0.11 Allowed 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 123.265 2.643 . . . . 3.6000000000000001 111.978 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -153.49 -68.49 0.15 Allowed 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.803 0.297 . . . . 5.1399999999999997 111.803 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -90.36 -71.94 0.59 Allowed 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 120.764 0.316 . . . . 9.0 110.726 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 m 178.33 -70.6 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 108.463 -0.94 . . . . 5.8700000000000001 108.463 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -179.99 -160.14 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.374 -1.285 . . . . 7.9500000000000002 108.176 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -64.76 -77.73 0.06 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.779 -0.452 . . . . 10.550000000000001 109.779 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -143.01 27.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.039 0.447 . . . . 13.16 110.281 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt 63.06 25.33 14.93 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.515 -0.766 . . . . 12.140000000000001 110.353 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.8 176.62 12.12 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.067 -0.969 . . . . 14.140000000000001 109.186 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.98 -176.58 50.93 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.769 -0.729 . . . . 16.039999999999999 112.623 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -84.04 90.65 7.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.865 0.364 . . . . 17.800000000000001 110.727 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -72.54 106.08 4.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.943 -0.571 . . . . 19.609999999999999 110.446 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -1.8 49.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.014 -0.539 . . . . 20.57 110.685 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 tp . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 21.890000000000001 110.212 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mtp . . . . . 0 N--CA 1.459 0.02 0 CA-C-O 120.978 0.418 . . . . 10.35 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.783 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 61.1 mttm -124.1 -59.84 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.959 -0.564 . . . . 8.3300000000000001 110.522 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.783 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 19.1 Cg_endo -93.59 140.6 1.62 Allowed 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.422 2.081 . . . . 4.4900000000000002 112.473 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 5' ' ' THR . 61.3 t -61.93 148.09 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 122.062 0.934 . . . . 3.1600000000000001 111.747 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.571 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.3 OUTLIER -101.9 147.56 26.39 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.017 -1.845 . . . . 3.1699999999999999 106.017 176.459 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.843 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.3 mt -58.92 -22.78 60.39 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.164 -1.014 . . . . 2.5600000000000001 110.191 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.49 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.0 OUTLIER -63.66 -37.8 88.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.978 -1.01 . . . . 4.2800000000000002 109.582 177.373 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' B' ' 5' ' ' THR . 2.3 m-20 -67.32 -42.03 84.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.839 -1.528 . . . . 3.77 109.933 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' B' ' 42' ' ' MET . 76.3 t -68.71 -44.17 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 115.318 -0.856 . . . . 2.6800000000000002 109.387 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.46 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.48 -46.83 85.85 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.334 -1.303 . . . . 3.1299999999999999 111.25 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.62 -48.8 73.53 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.484 -0.78 . . . . 5.21 109.525 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.761 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.4 t80 -61.57 -29.01 69.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.148 -0.933 . . . . 3.6200000000000001 111.244 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.45 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -83.26 -26.33 30.8 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.716 0.77 . . . . 2.9399999999999999 109.438 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.45 32.09 12.42 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 114.456 -1.247 . . . . 3.6600000000000001 111.295 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.623 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.3 m -140.09 152.47 21.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.009 -0.595 . . . . 3.5299999999999998 112.203 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -51.06 159.53 0.59 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.6 0.714 . . . . 4.3799999999999999 110.053 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.843 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 75.4 t80 -57.46 -56.63 19.32 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.379 -0.828 . . . . 3.6200000000000001 110.259 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.84 9.66 2.25 Favored 'General case' 0 CA--C 1.487 -1.479 0 CA-C-N 115.5 -0.773 . . . . 5.04 110.661 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.623 HG21 ' HB ' ' B' ' 15' ' ' VAL . 86.2 m -73.59 -57.62 3.87 Favored 'General case' 0 N--CA 1.407 -2.613 0 N-CA-C 101.561 -3.496 . . . . 3.7799999999999998 101.561 172.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.887 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.1 m -78.43 -33.17 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.631 -2.077 . . . . 2.9300000000000002 113.596 177.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -32.12 73.48 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.847 -1.158 . . . . 3.23 110.123 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.57 ' HD3' HG12 ' B' ' 30' ' ' VAL . 0.1 OUTLIER -68.0 -32.84 73.52 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.156 -1.424 . . . . 5.4000000000000004 107.156 177.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.981 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 54.5 t -66.03 -52.63 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 113.74 -1.573 . . . . 3.1800000000000002 110.083 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.86 -20.19 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.659 -1.155 . . . . 3.1200000000000001 112.175 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 2.4 m-80 -92.54 -11.25 34.98 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.612 -0.835 . . . . 4.0700000000000003 112.404 -176.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.445 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 11.5 pt20 161.99 -46.21 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.981 0.8 . . . . 6.0300000000000002 111.09 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.981 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 50.25 41.31 24.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.454 -0.793 . . . . 4.4800000000000004 112.609 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -63.31 -27.84 69.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.784 0.326 . . . . 5.6900000000000004 111.411 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -129.49 86.45 2.42 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.107 0.48 . . . . 6.5300000000000002 109.998 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.584 HG23 HH11 ' B' ' 35' ' ' ARG . 26.7 m -150.18 -179.55 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 CA-C-N 115.552 -0.749 . . . . 4.4299999999999997 110.845 -178.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' B' ' 35' ' ' ARG . 71.5 m -99.57 165.31 11.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.908 -0.587 . . . . 3.96 110.213 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.58 -60.62 2.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.889 -0.596 . . . . 3.3100000000000001 112.456 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -46.53 -49.9 17.94 Favored 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 123.642 0.588 . . . . 4.9000000000000004 111.897 -179.026 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.749 ' O ' HG13 ' B' ' 38' ' ' VAL . 7.3 m -49.77 -46.83 51.11 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.73 -0.668 . . . . 3.1299999999999999 111.864 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.584 HH11 HG23 ' B' ' 30' ' ' VAL . 67.9 mtm-85 -63.2 -35.28 79.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.874 0.369 . . . . 3.9100000000000001 110.327 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -67.06 -43.14 83.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.579 -0.737 . . . . 2.9399999999999999 110.795 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 10.1 mtmt -70.28 -43.43 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.574 -0.285 . . . . 3.1000000000000001 111.71 -179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.887 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -67.52 -47.42 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.785 -0.366 . . . . 2.3300000000000001 110.429 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.3 mm-40 -62.99 -37.82 88.68 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.239 -0.652 . . . . 3.0 109.239 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.27 -55.16 37.1 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.292 -1.003 . . . . 2.6499999999999999 108.292 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.761 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.9 -51.64 49.8 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.378 -0.828 . . . . 2.6800000000000002 113.058 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.512 ' HA ' HG22 ' B' ' 9' ' ' VAL . 18.9 ptp -64.23 -32.67 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.908 0.385 . . . . 2.7400000000000002 110.596 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.57 -45.73 61.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.184 -0.462 . . . . 3.4300000000000002 110.936 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.47 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.4 OUTLIER -66.77 -41.95 86.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.626 -0.716 . . . . 3.8100000000000001 111.147 -178.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.9 mt -79.36 -2.43 41.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 3.4700000000000002 111.289 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 t30 58.09 68.62 0.81 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 122.35 1.071 . . . . 4.3899999999999997 109.542 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.618 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 1.7 t80 -77.67 73.92 4.24 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.286 -1.325 . . . . 2.9700000000000002 110.879 -178.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.41 HG13 ' HD2' ' B' ' 49' ' ' PRO . 5.5 tp -60.57 134.11 91.6 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 114.706 -1.133 . . . . 3.9700000000000002 111.255 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.41 ' HD2' HG13 ' B' ' 48' ' ' ILE . 84.2 Cg_endo -83.85 -43.68 0.07 OUTLIER 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.577 2.184 . . . . 3.6600000000000001 114.374 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -155.33 107.83 2.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.357 0.598 . . . . 5.1100000000000003 110.595 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -118.21 14.23 13.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.59 -0.732 . . . . 8.3200000000000003 110.015 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.458 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 81.0 m -93.2 -33.03 14.16 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.847 -0.615 . . . . 6.1200000000000001 111.481 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.706 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . . . 74.66 -169.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 124.093 0.871 . . . . 7.4400000000000004 110.896 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -84.01 -92.7 0.08 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.215 -0.448 . . . . 10.52 111.796 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -74.69 -19.09 60.4 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.571 -0.286 . . . . 12.48 111.613 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.706 ' HB3' ' HB3' ' B' ' 53' ' ' ALA . 37.0 tp -61.55 -26.78 68.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.121 -0.49 . . . . 11.92 111.855 -178.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.36 -25.71 65.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.404 -0.362 . . . . 12.460000000000001 111.702 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.09 -103.98 2.87 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.69 -0.767 . . . . 14.220000000000001 112.551 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.483 ' HD3' HD12 ' B' ' 56' ' ' LEU . 18.7 mtmm 72.35 82.08 0.14 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.461 0.704 . . . . 16.629999999999999 110.232 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -90.08 109.04 20.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.837 -0.62 . . . . 18.329999999999998 110.265 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 3.0 m -118.86 -21.55 7.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.156 -0.475 . . . . 19.620000000000001 111.176 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.445 -0.788 . . . . 21.170000000000002 110.537 -179.336 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.487 0 O4'-C1'-N19 108.527 0.909 . . . . 7.0199999999999996 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.426 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.136 0 O4'-C1'-N19 109.417 2.021 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.427 ' OP2' HG23 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 O4'-C1'-N19 109.246 1.807 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 O3'-P-O5' 100.54 -1.821 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . 0.435 ' N7 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-N19 109.022 1.527 . . . . 7.2699999999999996 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O4'-C1'-N19 109.467 2.083 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-N19 109.564 2.205 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.402 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-N19 109.332 1.915 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.437 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O3'-P-O5' 101.014 -1.572 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.437 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-N19 109.08 1.601 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.571 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-N19 109.922 2.653 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.07 0 O3'-P-O5' 99.516 -2.36 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.452 " C2'" ' H72' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O3'-P-O5' 99.882 -2.167 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.452 ' H72' " C2'" ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O3'-P-O5' 100.775 -1.697 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O4'-C1'-N19 109.3 1.875 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O3'-P-O5' 100.474 -1.856 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O3'-P-O5' 101.635 -1.245 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 N19-C1'-C2' 115.836 1.023 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.602 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O5'-C5'-C4' 111.496 0.926 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.435 H2'' ' OP2' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C1'-N19 109.639 2.299 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.476 H2'' ' C7 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 O4'-C1'-N19 109.917 2.646 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.476 ' C7 ' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.521 -0.711 0 O3'-P-O5' 99.83 -2.195 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . 0.435 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 O4'-C1'-N19 108.99 1.487 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-N19 109.624 2.28 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C1'-N19 109.456 2.07 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-N19 109.166 1.708 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O3'-P-O5' 100.816 -1.676 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 109.14 1.675 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . 0.521 ' OP1' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 O3'--C3' 1.419 -0.908 0 O4'-C1'-N19 109.81 2.513 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-N19 109.557 2.196 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 O3'-P-O5' 99.898 -2.159 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O3'-P-O5' 100.685 -1.745 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C1'-N19 109.247 1.809 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O3'-P-O5' 100.836 -1.665 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O3'-P-O5' 101.538 -1.296 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 N19-C1'-C2' 115.594 0.871 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.501 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 110.573 -0.158 . . . . 8.1099999999999994 110.573 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 1' ' ' MET . 3.1 mmmp? 76.68 124.84 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.643 0 C-N-CA 123.755 0.822 . . . . 7.29 111.827 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 3.6 Cg_exo -82.48 -169.86 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.381 2.721 . . . . 4.3700000000000001 113.283 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.725 HG13 ' HB2' ' A' ' 8' ' ' ASP . 93.6 t -106.55 148.09 11.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.209 -0.905 . . . . 3.4500000000000002 111.376 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p -111.91 161.96 15.83 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 106.639 -1.615 . . . . 3.5499999999999998 106.639 176.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.674 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 1.9 mt -59.6 -23.41 62.94 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 118.838 -1.145 . . . . 2.8500000000000001 110.949 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.63 -38.78 92.16 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.815 0.817 . . . . 4.3899999999999997 110.657 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.725 ' HB2' HG13 ' A' ' 4' ' ' VAL . 37.6 m-20 -65.6 -43.96 88.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.196 -1.365 . . . . 4.1299999999999999 110.612 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.435 HG13 ' HB3' ' A' ' 41' ' ' ALA . 86.8 t -68.12 -40.67 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 108.934 -0.765 . . . . 2.9100000000000001 108.934 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.27 -47.2 84.37 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.269 -1.332 . . . . 3.1400000000000001 111.347 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.5 -50.21 64.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.342 0.591 . . . . 5.2400000000000002 109.64 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.84 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.0 t80 -60.97 -27.8 68.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.96 -1.018 . . . . 3.8199999999999998 111.633 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.6 -27.54 29.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.771 0.796 . . . . 2.8700000000000001 109.591 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.89 33.59 9.68 Favored Glycine 0 N--CA 1.44 -1.067 0 CA-C-N 114.778 -1.101 . . . . 3.2799999999999998 110.893 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.682 HG11 HG23 ' A' ' 34' ' ' THR . 5.8 m -138.16 146.49 26.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.245 -0.977 . . . . 3.3900000000000001 109.883 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.8 m -56.2 150.49 14.16 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.612 0.72 . . . . 4.3399999999999999 110.22 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.672 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 71.6 t80 -51.56 -50.49 59.99 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.591 -1.186 . . . . 3.71 112.351 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.41 ' H ' ' HG2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -64.35 -20.54 66.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.715 -1.13 . . . . 5.5 111.475 -176.9 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.4 m -69.22 -61.06 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 3.6499999999999999 110.301 178.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG11 ' HA ' ' A' ' 10' ' ' ALA . 1.1 m -68.34 -28.75 41.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.066 -0.515 . . . . 2.8500000000000001 112.243 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.8 m -55.61 -44.97 77.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.01 0.433 . . . . 3.1899999999999999 110.059 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.459 HH11 HG13 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -70.4 -28.69 65.27 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.867 -0.606 . . . . 4.4400000000000004 109.476 179.216 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.026 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 93.5 t -66.58 -51.0 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.244 -0.889 . . . . 2.9100000000000001 110.04 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.494 HG12 ' ND2' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -66.13 -20.17 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.224 -0.898 . . . . 2.7200000000000002 111.631 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.635 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 20.2 m-80 -103.88 12.51 34.32 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.812 0.671 . . . . 3.6800000000000002 112.812 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.635 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 17.2 mm-40 102.08 79.22 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.538 1.135 . . . . 6.0800000000000001 109.471 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.026 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -58.19 136.81 57.34 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 113.637 -1.62 . . . . 4.6299999999999999 112.029 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.13 121.77 9.21 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 108.01 -1.108 . . . . 5.0899999999999999 108.01 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 69.31 68.95 0.26 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.111 -0.95 . . . . 5.7999999999999998 109.65 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.644 HG21 ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -156.24 166.3 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 114.532 -1.213 . . . . 4.2300000000000004 108.685 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.2 p -80.12 162.89 24.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.281 0.563 . . . . 3.6600000000000001 111.584 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.598 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.76 -51.35 27.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.237 -0.892 . . . . 3.2799999999999998 110.882 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HA ' ' OE1' ' A' ' 36' ' ' GLU . 14.3 ptmt -48.45 -41.95 30.97 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.778 0.674 . . . . 4.5899999999999999 112.078 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.773 ' O ' HG13 ' A' ' 38' ' ' VAL . 87.1 m -57.53 -48.23 79.84 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 121.158 -0.217 . . . . 2.8599999999999999 110.822 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -62.58 -34.52 77.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.098 0.475 . . . . 4.1600000000000001 110.036 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 30.4 mt-10 -66.92 -42.19 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.439 -0.8 . . . . 3.5499999999999998 111.398 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.518 ' HE3' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -77.84 -37.31 48.74 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 120.628 -0.429 . . . . 2.8399999999999999 111.775 -178.66 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.918 HG21 HG11 ' A' ' 23' ' ' VAL . 4.1 m -62.98 -45.0 99.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 108.494 -0.928 . . . . 2.2599999999999998 108.494 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 5.3 mt-10 -61.67 -43.24 99.23 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.518 -0.764 . . . . 3.27 109.321 178.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.591 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.84 -54.83 40.38 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.03 -0.729 . . . . 2.8599999999999999 109.03 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.84 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.88 -51.79 54.3 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 113.417 0.895 . . . . 2.8900000000000001 113.417 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.1 ptp -64.17 -32.02 73.44 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.781 -0.367 . . . . 2.8799999999999999 110.542 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.71 -44.97 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 3.6000000000000001 111.063 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 5.1 mm-40 -68.08 -43.22 79.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.808 -0.633 . . . . 4.0899999999999999 110.578 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.8 mt -80.46 0.68 32.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.45 -0.795 . . . . 3.71 110.649 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 8.1 t30 75.44 -51.62 0.65 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.759 0.662 . . . . 4.1799999999999997 110.374 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.674 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 7.1 t80 43.82 90.8 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 O-C-N 124.138 0.899 . . . . 3.1000000000000001 112.247 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.67 140.78 4.29 Favored Pre-proline 0 N--CA 1.466 0.332 0 CA-C-N 115.086 -0.961 . . . . 3.7000000000000002 112.133 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.639 ' O ' ' HA ' ' B' ' 53' ' ' ALA . 91.9 Cg_endo -79.34 37.15 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.928 2.419 . . . . 3.6000000000000001 113.115 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -83.24 59.42 4.99 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.293 -0.632 . . . . 5.1399999999999997 109.293 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -136.29 89.56 2.48 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.749 -0.66 . . . . 9.0 111.4 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 76.3 m -116.34 95.52 5.11 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.878 0.847 . . . . 5.8700000000000001 108.799 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.39 115.49 3.59 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 113.478 -1.692 . . . . 7.9500000000000002 111.588 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.619 ' HG2' HD11 ' B' ' 48' ' ' ILE . 6.0 mt-30 -99.92 -75.79 0.56 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.995 -0.548 . . . . 10.550000000000001 110.049 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -88.2 -51.18 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 13.16 110.132 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.4 tp 61.14 59.27 2.03 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.592 -0.731 . . . . 12.140000000000001 111.074 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.38 112.54 3.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 14.140000000000001 110.78 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.616 ' H ' " H5'" ' D' ' 13' ' ' ' DT' . . . -109.66 35.3 4.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.943 -0.646 . . . . 16.039999999999999 112.145 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -159.66 104.81 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.117 -0.327 . . . . 17.800000000000001 110.117 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -107.83 -31.68 7.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.752 0.31 . . . . 19.609999999999999 110.719 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.66 -0.26 26.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.386 -0.37 . . . . 20.57 111.373 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.339 -0.391 . . . . 21.890000000000001 110.009 -179.881 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.6 ttp . . . . . 0 C--O 1.23 0.04 0 CA-C-O 121.37 0.605 . . . . 10.35 109.972 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 4.0 ptmm? -144.04 132.21 10.92 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.215 -0.902 . . . . 8.3300000000000001 109.918 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.682 ' HB3' HG12 ' B' ' 48' ' ' ILE . 62.4 Cg_exo -55.37 153.83 26.42 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.643 2.229 . . . . 4.4900000000000002 111.748 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.667 HG13 ' HB2' ' B' ' 8' ' ' ASP . 53.8 t -74.16 139.66 18.93 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.61 0 CA-C-O 122.384 1.088 . . . . 3.1600000000000001 111.924 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.691 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.1 OUTLIER -108.91 154.35 22.26 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 105.219 -2.141 . . . . 3.1699999999999999 105.219 176.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.845 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -59.47 -23.1 62.44 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 118.68 -1.208 . . . . 2.5600000000000001 110.419 -178.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -35.84 81.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.062 -0.972 . . . . 4.2800000000000002 109.858 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.667 ' HB2' HG13 ' B' ' 4' ' ' VAL . 63.9 m-20 -65.81 -44.7 84.87 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.689 -1.141 . . . . 3.77 110.265 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.479 HG22 ' HA ' ' B' ' 42' ' ' MET . 73.6 t -67.43 -41.12 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.976 0.894 . . . . 2.6800000000000002 108.934 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.492 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.13 -46.4 89.76 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.948 -1.478 . . . . 3.1299999999999999 111.266 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -49.01 71.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.024 -0.732 . . . . 5.21 109.024 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.829 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 36.6 t80 -61.08 -30.88 70.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.395 -0.821 . . . . 3.6200000000000001 111.504 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -81.93 -26.11 34.33 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.679 -0.859 . . . . 2.9399999999999999 108.679 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.12 32.34 12.6 Favored Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 114.124 -1.398 . . . . 3.6600000000000001 111.264 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.776 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.0 m -140.1 152.93 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 CA-C-N 115.374 -0.413 . . . . 3.5299999999999998 111.341 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.494 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.9 m -50.4 158.61 0.57 Allowed 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 122.729 1.252 . . . . 4.3799999999999999 112.273 177.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.845 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 88.6 t80 -54.51 -61.03 2.57 Favored 'General case' 0 CA--C 1.563 1.468 0 CA-C-N 115.311 -0.859 . . . . 3.6200000000000001 110.634 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.865 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 2.0 mp0 -69.9 13.1 0.16 Allowed 'General case' 0 C--O 1.17 -3.11 0 C-N-CA 125.395 1.478 . . . . 5.04 107.695 172.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.776 HG21 ' HB ' ' B' ' 15' ' ' VAL . 20.8 m -77.58 -62.85 1.53 Allowed 'General case' 0 N--CA 1.416 -2.164 1 C-N-CA 110.47 -4.492 . . . . 3.7799999999999998 106.025 168.522 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.791 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -72.98 -29.22 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.212 0 CA-C-N 111.97 -2.377 . . . . 2.9300000000000002 113.352 173.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.865 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 49.3 m -62.81 -34.79 78.03 Favored 'General case' 0 C--O 1.208 -1.119 0 C-N-CA 119.157 -1.017 . . . . 3.23 109.465 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -69.68 -30.17 67.78 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 107.522 -1.288 . . . . 5.4000000000000004 107.522 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 1.034 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 98.5 t -66.08 -52.77 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-N 114.309 -1.314 . . . . 3.1800000000000002 108.739 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -67.24 -20.15 26.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 114.992 -1.004 . . . . 3.1200000000000001 112.002 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.575 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 8.4 m-80 -105.92 23.44 13.96 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.844 -0.535 . . . . 4.0700000000000003 112.058 -177.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.575 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 91.0 mt-30 92.55 82.49 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.327 1.017 . . . . 6.0300000000000002 108.987 177.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 1.034 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -81.26 72.98 8.32 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 113.942 -1.481 . . . . 4.4800000000000004 112.314 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 61.4 m -85.13 9.2 15.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.454 . . . . 5.6900000000000004 110.981 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.53 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 0.0 OUTLIER -154.23 74.88 0.99 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.082 -0.508 . . . . 6.5300000000000002 110.404 179.682 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 m -151.04 175.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 123.186 0.595 . . . . 4.4299999999999997 110.32 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -94.85 172.36 8.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.326 . . . . 3.96 110.986 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -71.59 -62.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 3.3100000000000001 112.226 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' B' ' 33' ' ' LYS . 13.3 tptt -50.7 -45.98 58.62 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 116.251 -0.431 . . . . 4.9000000000000004 111.856 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.69 ' O ' HG13 ' B' ' 38' ' ' VAL . 10.4 m -51.71 -45.58 63.61 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.138 -0.483 . . . . 3.1299999999999999 111.182 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 27.4 mtm180 -62.58 -40.93 98.45 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.555 -0.535 . . . . 3.9100000000000001 109.555 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 34.4 mt-10 -67.1 -33.93 76.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.43 -0.805 . . . . 2.9399999999999999 110.489 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -70.92 -47.31 59.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.972 -0.558 . . . . 3.1000000000000001 110.285 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.791 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.7 m -68.52 -45.08 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.816 -0.439 . . . . 2.3300000000000001 109.816 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 13.6 mt-10 -60.29 -41.22 92.93 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.645 -0.502 . . . . 3.0 109.645 178.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.579 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -64.81 -51.9 59.69 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.987 -0.746 . . . . 2.6499999999999999 108.987 177.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.829 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.62 -51.66 53.88 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 112.755 0.65 . . . . 2.6800000000000002 112.755 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.479 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.7 ptp -64.66 -32.25 73.83 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.015 -0.274 . . . . 2.7400000000000002 110.36 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.2 -45.02 64.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.363 . . . . 3.4300000000000002 111.252 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 19.4 mm-40 -67.32 -44.51 78.95 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.952 -0.567 . . . . 3.8100000000000001 110.73 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.1 mt -80.87 0.24 35.99 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.567 -0.742 . . . . 3.4700000000000002 110.621 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.482 HD22 ' C ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER 73.78 -47.54 0.65 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.893 0.746 . . . . 4.3899999999999997 110.22 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.791 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 1.8 t80 56.54 95.46 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.627 0.727 . . . . 2.9700000000000002 111.312 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.713 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 2.5 pp -68.2 164.61 41.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.307 -0.86 . . . . 3.9700000000000002 111.441 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.713 ' HD2' ' HB ' ' B' ' 48' ' ' ILE . 14.3 Cg_endo -57.05 119.78 7.27 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.13 2.553 . . . . 3.6600000000000001 112.993 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -85.52 81.49 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.569 -0.741 . . . . 5.1100000000000003 109.489 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 82.96 89.13 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.297 -1.32 . . . . 8.3200000000000003 109.984 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.449 ' HB2' ' H ' ' B' ' 53' ' ' ALA . 0.5 OUTLIER -100.65 -123.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.576 -0.738 . . . . 6.1200000000000001 111.649 -178.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.639 ' HA ' ' O ' ' A' ' 49' ' ' PRO . . . -161.76 -87.41 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.209 -0.45 . . . . 7.4400000000000004 111.133 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -159.57 1.48 0.08 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.778 0.323 . . . . 10.52 111.359 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.9 -57.07 2.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.945 -0.391 . . . . 12.48 109.945 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mp 65.39 105.6 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 124.115 0.884 . . . . 11.92 112.194 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.5 98.36 8.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.878 -0.601 . . . . 12.460000000000001 110.293 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.31 83.47 1.61 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.881 -0.675 . . . . 14.220000000000001 112.961 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 63.88 7.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.013 0.435 . . . . 16.629999999999999 110.323 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -69.44 -16.11 63.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.798 -0.637 . . . . 18.329999999999998 111.265 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.75 96.77 2.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.143 -0.48 . . . . 19.620000000000001 110.79 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.152 -0.927 . . . . 21.170000000000002 110.008 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.505 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.59 0 O4'-C1'-C2' 107.015 0.832 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-N19 109.391 1.989 . . . . 6.3700000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.05 0 O4'-C1'-N19 109.301 1.876 . . . . 5.9000000000000004 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O3'-P-O5' 100.568 -1.807 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-N19 108.846 1.308 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C1'-N19 109.526 2.158 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-N19 109.326 1.907 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.042 0 O4'-C1'-N19 109.348 1.935 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.449 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O3'-P-O5' 100.907 -1.628 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.449 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-N19 108.974 1.468 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.691 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O3'--C3' 1.421 -0.768 0 O4'-C1'-N19 109.652 2.315 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O3'-P-O5' 99.474 -2.382 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.63 ' H71' ' HG2' ' B' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.423 -1.036 0 O3'-P-O5' 100.042 -2.083 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.413 ' H72' ' C6 ' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O3'-P-O5' 100.441 -1.873 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C1'-N19 109.307 1.884 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O3'-P-O5' 100.52 -1.832 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O3'-P-O5' 101.448 -1.343 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 N19-C1'-C2' 116.083 1.177 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.427 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.585 0 O4'-C1'-N19 108.569 0.961 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.53 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C1'-N19 109.433 2.041 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.472 H2'' ' C7 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O4'-C1'-N19 110.108 2.885 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.472 ' C7 ' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.522 -0.6 0 O3'-P-O5' 99.395 -2.424 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . 0.416 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-N19 108.832 1.29 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C1'-N19 109.481 2.101 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 109.48 2.101 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C1'-N19 109.284 1.855 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.401 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O3'-P-O5' 100.497 -1.844 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . 0.401 ' C8 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.022 1.528 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 109.848 2.56 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-N19 109.394 1.993 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . 0.616 " H5'" ' H ' ' A' ' 58' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O3'-P-O5' 100.212 -1.994 . . . . 5.6500000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O3'-P-O5' 100.597 -1.791 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.098 0 O4'-C1'-N19 109.168 1.71 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 109.259 1.823 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O3'-P-O5' 101.618 -1.253 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 N19-C1'-C2' 115.485 0.803 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 tpt . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 120.521 0.201 . . . . 8.1099999999999994 111.215 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 98.0 mttt -75.39 124.11 88.93 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.704 0.288 . . . . 7.29 111.281 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 94.8 Cg_endo -94.81 -102.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.463 2.775 . . . . 4.3700000000000001 114.213 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.619 HG13 ' HB2' ' A' ' 8' ' ' ASP . 47.1 t -136.24 151.39 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 121.612 0.72 . . . . 3.4500000000000002 111.656 -177.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.2 p -121.06 162.0 20.74 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 106.276 -1.75 . . . . 3.5499999999999998 106.276 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.808 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.9 mt -59.2 -24.08 62.81 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 119.648 -0.821 . . . . 2.8500000000000001 111.154 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -65.0 -36.9 85.9 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.864 0.84 . . . . 4.3899999999999997 110.292 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.619 ' HB2' HG13 ' A' ' 4' ' ' VAL . 26.9 m-20 -65.7 -44.93 84.65 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 114.18 -1.373 . . . . 4.1299999999999999 109.853 -178.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' A' ' 41' ' ' ALA . 92.7 t -68.78 -42.09 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.534 -0.757 . . . . 2.9100000000000001 109.39 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.657 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.54 -47.46 81.96 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.566 -1.197 . . . . 3.1400000000000001 111.592 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -68.91 -48.6 62.9 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.586 -0.524 . . . . 5.2400000000000002 109.586 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.809 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 54.3 t80 -60.07 -27.21 66.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.473 -0.785 . . . . 3.8199999999999998 111.509 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.94 -28.0 24.56 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.698 0.761 . . . . 2.8700000000000001 109.724 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.44 34.21 8.77 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 114.831 -1.077 . . . . 3.2799999999999998 111.163 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.805 HG11 HG23 ' A' ' 34' ' ' THR . 3.3 m -138.17 147.76 25.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.42 -0.89 . . . . 3.3900000000000001 110.389 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -55.43 147.27 17.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.288 0.566 . . . . 4.3399999999999999 110.595 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.61 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 60.7 t80 -50.47 -51.95 42.56 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.832 -1.076 . . . . 3.71 112.299 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' NE2' ' N7 ' ' C' ' 5' ' ' ' DA' . 0.0 OUTLIER -59.67 -29.06 67.8 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.985 -1.007 . . . . 5.5 111.758 -179.566 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.2 m -64.54 -61.32 2.28 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.557 -0.292 . . . . 3.6499999999999999 110.683 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.657 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -68.69 -30.19 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.36 -0.382 . . . . 2.8500000000000001 111.728 -178.778 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.424 ' HA ' HD13 ' A' ' 6' ' ' LEU . 40.2 t -57.96 -47.11 83.88 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.264 -0.643 . . . . 3.1899999999999999 109.264 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -70.08 -27.93 65.01 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.295 -0.866 . . . . 4.4400000000000004 109.642 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.943 HG11 HG21 ' A' ' 38' ' ' VAL . 40.6 t -64.7 -47.88 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.396 -0.82 . . . . 2.9100000000000001 109.236 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.34 -21.46 29.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.66 -0.7 . . . . 2.7200000000000002 110.915 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 3.3 m-80 -85.23 -10.72 56.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 3.6800000000000002 111.825 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.497 ' HB3' ' O ' ' A' ' 25' ' ' ASN . 3.4 pt20 121.92 -21.0 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 126.097 1.759 . . . . 6.0800000000000001 110.228 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 62.03 -145.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.655 -0.702 . . . . 4.6299999999999999 110.79 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -157.98 -46.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.693 0.759 . . . . 5.0899999999999999 108.993 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.641 ' HB3' ' OP2' ' C' ' 2' ' ' ' DG' . 10.3 m-70 -132.05 -109.25 0.25 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.002 -0.999 . . . . 5.7999999999999998 108.857 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.583 HG13 ' OP2' ' C' ' 3' ' ' ' DA' . 57.0 t 71.7 154.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 121.159 0.504 . . . . 4.2300000000000004 111.122 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.84 161.69 14.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.969 0.414 . . . . 3.6600000000000001 110.773 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -56.71 -49.99 73.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.598 -0.728 . . . . 3.2799999999999998 112.59 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.598 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 1.4 pttm -51.16 -41.53 60.22 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.177 0.806 . . . . 4.5899999999999999 113.177 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.805 HG23 HG11 ' A' ' 15' ' ' VAL . 17.9 m -71.74 -40.82 69.13 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.026 -0.67 . . . . 2.8599999999999999 111.206 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.488 ' O ' HG22 ' A' ' 38' ' ' VAL . 10.9 mtp180 -66.95 -40.27 87.47 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.794 -0.362 . . . . 4.1600000000000001 110.781 -178.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 5.3 pt-20 -68.2 -31.77 71.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.201 -0.454 . . . . 3.5499999999999998 109.859 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.598 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 4.2 mtpp -72.85 -44.35 61.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.038 -0.528 . . . . 2.8399999999999999 110.555 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.943 HG21 HG11 ' A' ' 23' ' ' VAL . 3.0 m -65.2 -44.53 95.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 108.651 -0.87 . . . . 2.2599999999999998 108.651 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 13.6 mt-10 -59.61 -45.22 92.59 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.369 -0.832 . . . . 3.27 109.42 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.657 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.83 -55.05 37.68 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.175 -0.676 . . . . 2.8599999999999999 109.175 178.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.809 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.16 -52.19 46.45 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 113.371 0.878 . . . . 2.8900000000000001 113.371 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.404 ' HE3' ' O ' ' A' ' 38' ' ' VAL . 15.9 ptp -65.48 -32.18 73.65 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.724 -0.39 . . . . 2.8799999999999999 110.302 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.93 -43.3 68.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.917 0.389 . . . . 3.6000000000000001 111.097 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 10.9 mm-40 -68.53 -44.56 74.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.875 -0.602 . . . . 4.0899999999999999 110.605 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.1 mt -80.77 0.66 33.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.476 -0.784 . . . . 3.71 110.908 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 3.4 t-20 73.88 -52.74 0.69 Allowed 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.791 0.682 . . . . 4.1799999999999997 110.096 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.808 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.3 t80 56.07 92.99 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.834 0.826 . . . . 3.1000000000000001 112.721 178.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.07 128.3 24.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.056 -0.975 . . . . 3.7000000000000002 109.191 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -82.01 159.94 18.25 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.957 2.438 . . . . 3.6000000000000001 113.502 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -163.53 -91.44 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.105 -0.498 . . . . 5.1399999999999997 110.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.462 HH11 " H5'" ' C' ' 12' ' ' ' DC' . 1.9 ttt-85 58.95 63.88 1.54 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.241 0.616 . . . . 9.0 112.59 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.9 p -122.32 -122.92 0.27 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.071 -0.344 . . . . 5.8700000000000001 110.071 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -166.2 -175.8 3.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.541 0.21 . . . . 7.9500000000000002 110.894 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -113.97 -168.14 1.31 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.692 0.282 . . . . 10.550000000000001 110.678 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.24 43.05 0.51 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.43 -0.35 . . . . 13.16 111.672 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' B' ' 28' ' ' SER . 15.2 mt 53.91 -116.25 1.04 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.724 -0.671 . . . . 12.140000000000001 111.731 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.14 178.58 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.556 -0.293 . . . . 14.140000000000001 110.623 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.39 -147.0 19.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.88 -0.676 . . . . 16.039999999999999 111.768 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.98 28.98 12.47 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 122.702 0.401 . . . . 17.800000000000001 111.262 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.6 -87.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.662 -0.699 . . . . 19.609999999999999 111.338 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.8 m -89.5 80.05 6.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.092 0.472 . . . . 20.57 110.901 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.6 tp . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.498 . . . . 21.890000000000001 110.556 179.51 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.3 mmm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.719 0.295 . . . . 10.35 110.767 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -87.35 117.66 68.87 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.354 -0.385 . . . . 8.3300000000000001 110.015 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.35 150.73 81.12 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.974 2.449 . . . . 4.4900000000000002 113.208 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.718 HG13 ' HB2' ' B' ' 8' ' ' ASP . 96.8 t -64.1 141.55 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.331 -0.85 . . . . 3.1600000000000001 111.584 179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 24.3 p -102.51 156.98 17.25 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 105.844 -1.91 . . . . 3.1699999999999999 105.844 175.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 1.056 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.0 OUTLIER -61.25 -20.23 62.59 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 118.588 -1.245 . . . . 2.5600000000000001 109.487 178.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.6 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.1 -38.85 92.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.696 -1.138 . . . . 4.2800000000000002 110.014 176.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.718 ' HB2' HG13 ' B' ' 4' ' ' VAL . 24.9 m-20 -63.66 -43.2 97.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.998 -1.455 . . . . 3.77 109.584 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' B' ' 42' ' ' MET . 82.8 t -68.43 -40.53 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 N-CA-C 108.753 -0.832 . . . . 2.6800000000000002 108.753 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.639 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -59.77 -47.37 85.98 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.155 -1.384 . . . . 3.1299999999999999 111.179 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -64.19 -50.37 68.35 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.338 -0.847 . . . . 5.21 109.552 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.841 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 41.7 t80 -60.14 -28.42 67.88 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.678 -1.146 . . . . 3.6200000000000001 111.359 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.42 -25.99 26.65 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.84 0.828 . . . . 2.9399999999999999 109.239 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.3 33.99 10.01 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 114.29 -1.323 . . . . 3.6600000000000001 111.135 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.676 ' HB ' HG21 ' B' ' 19' ' ' THR . 11.5 m -142.24 151.29 18.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.126 -0.537 . . . . 3.5299999999999998 112.405 -176.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.5 m -50.36 163.3 0.17 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.963 0.887 . . . . 4.3799999999999999 110.152 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.798 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 56.8 t80 -56.68 -57.12 13.78 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 114.676 -1.147 . . . . 3.6200000000000001 110.937 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.642 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 1.2 tp60 -77.6 16.57 0.64 Allowed 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 125.081 1.488 . . . . 5.04 113.916 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.676 HG21 ' HB ' ' B' ' 15' ' ' VAL . 63.4 m -82.02 -58.25 3.05 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 102.565 -3.124 . . . . 3.7799999999999998 102.565 171.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.83 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -77.36 -39.87 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-N 110.1 -3.227 . . . . 2.9300000000000002 112.052 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.642 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 46.6 m -61.57 -31.91 71.97 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.015 -1.053 . . . . 3.23 110.046 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.87 -30.25 66.59 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.13 -1.063 . . . . 5.4000000000000004 108.13 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 1.054 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 87.7 t -66.05 -51.06 64.58 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 114.836 -1.075 . . . . 3.1800000000000002 108.339 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.87 -19.77 26.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 114.669 -1.15 . . . . 3.1200000000000001 111.727 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.649 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 16.3 m-80 -108.41 22.56 15.77 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.597 -0.441 . . . . 4.0700000000000003 111.483 -177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.649 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 5.6 mp0 90.07 84.96 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 122.452 1.12 . . . . 6.0300000000000002 109.963 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 1.054 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -81.92 77.06 8.79 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 113.649 -1.614 . . . . 4.4800000000000004 112.468 -177.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.489 ' HB2' HD12 ' A' ' 56' ' ' LEU . 5.0 m -86.85 2.93 47.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.483 . . . . 5.6900000000000004 110.34 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.64 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 52.2 m-70 -142.48 79.36 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.535 . . . . 6.5300000000000002 109.734 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.544 ' HA ' " H3'" ' D' ' 2' ' ' ' DG' . 4.5 m -160.35 179.8 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 122.649 0.38 . . . . 4.4299999999999997 110.611 -178.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.502 ' O ' ' HD3' ' B' ' 35' ' ' ARG . 1.5 p -101.55 168.75 9.29 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.95 -0.568 . . . . 3.96 109.524 176.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -70.72 -54.65 10.98 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.15 0.426 . . . . 3.3100000000000001 112.15 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -49.79 -49.83 47.12 Favored 'General case' 0 CA--C 1.508 -0.649 0 O-C-N 123.433 0.458 . . . . 4.9000000000000004 112.109 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.761 ' O ' HG13 ' B' ' 38' ' ' VAL . 26.6 m -49.72 -47.9 50.31 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.485 -0.78 . . . . 3.1299999999999999 111.466 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.528 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 8.4 mtp180 -61.02 -38.43 86.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.632 0.253 . . . . 3.9100000000000001 110.572 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 19.9 mt-10 -66.43 -39.02 88.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.32 0.581 . . . . 2.9399999999999999 110.384 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -70.93 -44.91 65.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.379 -0.828 . . . . 3.1000000000000001 111.243 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.83 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -68.2 -43.88 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.398 -0.365 . . . . 2.3300000000000001 110.081 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -60.03 -41.15 91.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.909 -0.775 . . . . 3.0 108.909 177.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.624 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.43 -53.52 53.7 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.918 -0.771 . . . . 2.6499999999999999 108.918 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.841 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.46 -51.86 51.35 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 113.494 0.924 . . . . 2.6800000000000002 113.494 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.458 ' HA ' HG22 ' B' ' 9' ' ' VAL . 17.3 ptp -65.22 -32.28 73.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.74 0.305 . . . . 2.7400000000000002 110.645 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.95 -42.43 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 3.4300000000000002 111.218 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.1 mm-40 -68.97 -44.46 72.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.286 0.565 . . . . 3.8100000000000001 110.558 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.9 mt -80.7 1.96 27.99 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.319 -0.855 . . . . 3.4700000000000002 111.173 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.5 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 4.0 t30 74.92 -52.47 0.67 Allowed 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.629 0.581 . . . . 4.3899999999999997 110.072 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 1.056 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 14.3 t80 41.33 93.24 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.392 1.077 . . . . 2.9700000000000002 113.838 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.578 HD12 ' HD2' ' B' ' 49' ' ' PRO . 10.3 tp -65.15 113.93 13.19 Favored Pre-proline 0 N--CA 1.445 -0.693 0 CA-C-O 121.42 0.628 . . . . 3.9700000000000002 110.098 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.578 ' HD2' HD12 ' B' ' 48' ' ' ILE . 91.0 Cg_endo -81.51 56.03 5.8 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.76 2.307 . . . . 3.6600000000000001 113.353 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -79.52 61.51 3.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.082 0.467 . . . . 5.1100000000000003 110.824 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.51 HH12 H5'' ' C' ' 11' ' ' ' DT' . 51.7 mtt-85 -144.42 -74.56 0.25 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.311 -0.625 . . . . 8.3200000000000003 109.311 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.6 m -155.55 -36.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.246 -0.888 . . . . 6.1200000000000001 109.229 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.773 ' HB3' ' HB2' ' B' ' 56' ' ' LEU . . . 68.57 -178.45 0.22 Allowed 'General case' 0 N--CA 1.458 -0.061 0 CA-C-N 115.381 -0.827 . . . . 7.4400000000000004 112.564 177.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.405 ' HB2' ' OE1' ' B' ' 55' ' ' GLN . 7.7 mt-30 -99.04 -70.33 0.73 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.322 -0.854 . . . . 10.52 111.124 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.405 ' OE1' ' HB2' ' B' ' 54' ' ' GLN . 0.9 OUTLIER -64.66 -21.29 66.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.626 -1.17 . . . . 12.48 112.041 -178.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.773 ' HB2' ' HB3' ' B' ' 53' ' ' ALA . 7.9 mp -72.12 -30.37 64.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.329 . . . . 11.92 110.476 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.42 -23.71 29.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.135 -0.484 . . . . 12.460000000000001 110.173 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.71 19.34 68.36 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.654 -0.703 . . . . 14.220000000000001 112.244 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -113.28 -64.63 1.28 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.654 0.264 . . . . 16.629999999999999 110.718 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.449 ' HB2' ' HG3' ' B' ' 26' ' ' GLN . 62.4 tp60 -79.32 111.73 15.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.907 0.384 . . . . 18.329999999999998 110.527 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 63.6 m -156.67 41.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.198 -0.455 . . . . 19.620000000000001 110.359 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 44.3 mt . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.622 -0.704 . . . . 21.170000000000002 110.106 -179.766 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.722 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O4'-C1'-N19 108.597 0.997 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.641 ' OP2' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.422 -1.107 0 O4'-C1'-N19 109.367 1.959 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.583 ' OP2' HG13 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.005 0 O4'-C1'-N19 109.339 1.924 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 O3'-P-O5' 100.028 -2.091 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . 0.415 ' N7 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-N19 108.906 1.382 . . . . 7.2699999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-N19 109.558 2.198 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C1'-N19 109.646 2.307 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.062 0 O4'-C1'-N19 109.3 1.875 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.448 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O3'-P-O5' 100.681 -1.747 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.477 ' C8 ' ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-N19 108.726 1.157 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.51 H5'' HH12 ' B' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.454 0.769 0 O4'-C1'-N19 109.939 2.674 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.462 " H5'" HH11 ' A' ' 51' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.991 0 O4'-C1'-N19 109.763 2.454 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.541 ' H71' ' HG2' ' B' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O3'-P-O5' 100.095 -2.055 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.177 0 O4'-C1'-N19 109.245 1.807 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C1'-N19 109.215 1.769 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O3'-P-O5' 100.524 -1.83 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O3'-P-O5' 101.577 -1.275 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-C2' 107.059 0.872 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.422 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 O4'-C1'-N19 108.703 1.129 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.64 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 O4'-C1'-N19 109.209 1.761 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.503 H2'' ' OP2' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C1'-N19 110.069 2.836 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.503 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.523 -0.453 0 O3'-P-O5' 99.925 -2.145 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . 0.42 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-N19 108.884 1.355 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-N19 109.624 2.28 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O4'-C1'-N19 109.478 2.097 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-N19 109.326 1.908 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.031 0 O3'-P-O5' 100.636 -1.771 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . 0.447 ' C8 ' ' H72' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O3'-P-O5' 101.184 -1.482 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . 0.447 ' H72' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 109.875 2.594 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-N19 109.446 2.058 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O3'-P-O5' 99.84 -2.189 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.076 0 O4'-C1'-N19 109.22 1.775 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 109.242 1.803 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-N19 109.134 1.668 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O3'-P-O5' 101.549 -1.29 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 107.075 0.887 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.742 0.306 . . . . 8.1099999999999994 110.551 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.439 ' HG3' ' HD2' ' A' ' 3' ' ' PRO . 20.8 tptt -108.53 138.62 20.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.482 -0.562 . . . . 7.29 109.482 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.439 ' HD2' ' HG3' ' A' ' 2' ' ' LYS . 26.9 Cg_endo -63.01 -89.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.831 2.354 . . . . 4.3700000000000001 113.658 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.677 HG13 ' HB2' ' A' ' 8' ' ' ASP . 24.0 t -144.44 146.61 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 CA-C-O 121.942 0.877 . . . . 3.4500000000000002 111.945 -178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.5 p -123.23 165.42 16.95 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 105.989 -1.856 . . . . 3.5499999999999998 105.989 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.851 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 1.9 mt -59.96 -23.84 63.92 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.699 -0.8 . . . . 2.8500000000000001 111.162 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -65.23 -38.04 89.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.605 -0.725 . . . . 4.3899999999999997 110.316 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.677 ' HB2' HG13 ' A' ' 4' ' ' VAL . 27.8 m-20 -65.69 -44.77 85.18 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 114.502 -1.226 . . . . 4.1299999999999999 110.007 -178.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 41' ' ' ALA . 94.3 t -68.42 -40.72 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 0 N-CA-C 108.988 -0.745 . . . . 2.9100000000000001 108.988 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.35 -47.02 85.14 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.639 -1.164 . . . . 3.1400000000000001 111.35 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -69.26 -49.48 55.76 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.612 -0.514 . . . . 5.2400000000000002 109.612 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.834 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.5 t80 -60.07 -27.3 66.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.496 -0.775 . . . . 3.8199999999999998 111.547 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.79 -28.24 24.65 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.528 0.68 . . . . 2.8700000000000001 109.643 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 36.06 8.39 Favored Glycine 0 N--CA 1.439 -1.112 0 CA-C-N 114.915 -1.038 . . . . 3.2799999999999998 111.049 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.915 HG11 HG23 ' A' ' 34' ' ' THR . 5.6 m -139.29 147.39 24.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 114.401 -0.9 . . . . 3.3900000000000001 110.361 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 m -55.86 148.98 15.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.494 0.664 . . . . 4.3399999999999999 110.211 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.653 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.8 t80 -52.62 -51.91 57.85 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.972 -1.013 . . . . 3.71 112.318 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.595 ' HG2' ' H62' ' C' ' 6' ' ' ' DA' . 19.9 mp0 -61.79 -23.12 66.0 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.189 -0.914 . . . . 5.5 111.248 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.1 m -67.75 -60.87 2.19 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.317 -0.401 . . . . 3.6499999999999999 109.946 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.589 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -68.4 -29.09 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.266 -0.424 . . . . 2.8500000000000001 111.378 -179.391 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 t -56.09 -44.41 78.99 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.532 -0.544 . . . . 3.1899999999999999 109.532 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -30.31 66.97 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.349 -0.611 . . . . 4.4400000000000004 109.349 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.063 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 71.6 t -65.56 -47.16 87.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.305 -0.861 . . . . 2.9100000000000001 110.615 -177.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.52 -20.86 27.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.009 -0.996 . . . . 2.7200000000000002 112.531 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.97 -14.1 7.2 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.776 1.769 . . . . 3.6800000000000002 115.776 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 175.23 73.36 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.468 0.576 . . . . 6.0800000000000001 110.964 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.063 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -88.95 63.85 6.92 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.082 0.468 . . . . 4.6299999999999999 111.549 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -14.19 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.41 0.624 . . . . 5.0899999999999999 110.614 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -134.15 86.47 2.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.808 -0.633 . . . . 5.7999999999999998 109.594 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.512 HG11 ' HB1' ' A' ' 27' ' ' ALA . 9.2 p -164.98 163.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.032 -0.531 . . . . 4.2300000000000004 109.967 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 30' ' ' VAL . 5.6 p -90.59 172.96 8.32 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.976 -0.556 . . . . 3.6600000000000001 110.953 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.02 -54.88 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.773 -0.649 . . . . 3.2799999999999998 111.153 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.611 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 28.1 tptt -51.71 -49.07 63.21 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 112.268 0.47 . . . . 4.5899999999999999 112.268 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.915 HG23 HG11 ' A' ' 15' ' ' VAL . 64.8 m -58.96 -42.48 90.0 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 111.718 0.266 . . . . 2.8599999999999999 111.718 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.538 ' O ' HG22 ' A' ' 38' ' ' VAL . 6.2 ttm180 -65.24 -45.73 83.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.795 0.331 . . . . 4.1600000000000001 111.054 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -68.46 -28.82 67.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.082 -0.508 . . . . 3.5499999999999998 110.124 -179.777 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.607 ' HD3' ' HG3' ' A' ' 33' ' ' LYS . 2.3 mtpp -69.93 -46.32 65.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.07 -0.514 . . . . 2.8399999999999999 109.815 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.845 HG21 HG11 ' A' ' 23' ' ' VAL . 2.4 m -65.71 -43.99 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.986 -0.746 . . . . 2.2599999999999998 108.986 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.7 mt-10 -59.96 -43.67 94.9 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.17 -0.923 . . . . 3.27 109.968 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -63.08 -52.52 62.35 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.153 -0.684 . . . . 2.8599999999999999 109.153 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.834 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -52.81 -51.92 58.93 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.27 0.841 . . . . 2.8900000000000001 113.27 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.5 ptp -64.6 -31.61 72.91 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.028 -0.269 . . . . 2.8799999999999999 110.395 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.71 -43.75 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 3.6000000000000001 111.088 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 37.2 mm-40 -68.9 -44.86 72.31 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.829 -0.623 . . . . 4.0899999999999999 111.223 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.8 mt -80.59 -0.15 36.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.513 -0.767 . . . . 3.71 110.474 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.8 t30 72.59 -45.62 0.63 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.701 0.8 . . . . 4.1799999999999997 110.331 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.851 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.2 t80 54.87 85.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.796 0.839 . . . . 3.1000000000000001 112.604 177.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 48' ' ' ILE . 3.2 tp -104.98 134.45 19.63 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.162 -0.926 . . . . 3.7000000000000002 109.211 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD2' HG13 ' A' ' 48' ' ' ILE . 56.0 Cg_endo -71.17 69.94 2.41 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.801 2.334 . . . . 3.6000000000000001 113.719 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -91.41 66.72 5.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.373 0.606 . . . . 5.1399999999999997 109.942 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.5 12.65 20.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.94 -0.573 . . . . 9.0 110.164 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 70.2 m -131.76 99.8 4.89 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 115.566 -0.743 . . . . 5.8700000000000001 109.906 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 67.84 -127.76 0.15 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.179 -1.373 . . . . 7.9500000000000002 111.842 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -153.71 -73.05 0.13 Allowed 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 120.927 0.394 . . . . 10.550000000000001 110.284 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -84.48 63.51 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.546 . . . . 13.16 111.129 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.12 97.3 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.782 -0.645 . . . . 12.140000000000001 110.597 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.62 89.1 1.53 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.953 -0.567 . . . . 14.140000000000001 110.688 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -142.91 35.12 1.73 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.414 -0.675 . . . . 16.039999999999999 111.414 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -71.55 -42.21 68.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.857 0.36 . . . . 17.800000000000001 110.849 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -76.96 -8.32 57.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.096 -0.502 . . . . 19.609999999999999 111.269 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t 71.3 -48.86 0.68 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.512 0.725 . . . . 20.57 112.274 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 120.778 0.323 . . . . 21.890000000000001 111.028 -179.839 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.983 0.421 . . . . 10.35 110.582 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -104.44 110.87 64.91 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.858 -0.61 . . . . 8.3300000000000001 110.993 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.24 -178.61 4.61 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.695 2.263 . . . . 4.4900000000000002 110.276 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.766 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 75.9 t -77.21 138.46 20.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 122.089 0.947 . . . . 3.1600000000000001 110.784 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.5 p -103.96 158.32 16.49 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 105.814 -1.921 . . . . 3.1699999999999999 105.814 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.768 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.5 mt -60.91 -22.14 64.06 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 118.861 -1.136 . . . . 2.5600000000000001 109.403 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.452 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -62.8 -39.8 95.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.738 -1.119 . . . . 4.2800000000000002 109.279 177.583 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.698 ' HB2' HG13 ' B' ' 4' ' ' VAL . 19.3 m-20 -64.25 -44.33 92.14 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 114.379 -1.282 . . . . 3.77 109.137 -178.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' B' ' 42' ' ' MET . 75.3 t -67.99 -43.34 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.061 -0.972 . . . . 2.6800000000000002 108.932 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.467 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.75 -46.35 84.61 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.295 -1.321 . . . . 3.1299999999999999 111.541 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -49.87 70.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.365 0.602 . . . . 5.21 109.407 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.788 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.0 t80 -61.16 -29.54 69.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.812 -1.086 . . . . 3.6200000000000001 111.444 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.85 -26.97 31.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.149 -0.686 . . . . 2.9399999999999999 109.149 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.22 31.74 16.04 Favored Glycine 0 CA--C 1.498 -0.979 0 CA-C-N 114.75 -1.114 . . . . 3.6600000000000001 111.099 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.636 ' HB ' HG21 ' B' ' 19' ' ' THR . 6.0 m -141.49 148.46 21.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.306 -0.947 . . . . 3.5299999999999998 111.007 -177.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.553 ' HB2' ' OG1' ' B' ' 19' ' ' THR . 4.8 m -47.89 155.06 0.46 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.141 0.496 . . . . 4.3799999999999999 111.066 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.71 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.7 t80 -52.87 -60.97 2.61 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.862 -1.063 . . . . 3.6200000000000001 110.136 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 1.023 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -71.3 3.52 3.6 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 123.8 0.687 . . . . 5.04 111.232 177.76 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.673 ' O ' HG23 ' B' ' 23' ' ' VAL . 52.5 m -71.13 -56.11 6.78 Favored 'General case' 0 N--CA 1.423 -1.779 0 N-CA-C 103.41 -2.811 . . . . 3.7799999999999998 103.41 174.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.782 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 1.4 m -80.21 -32.9 13.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 112.163 -2.289 . . . . 2.9300000000000002 112.858 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' SER . . . . . 1.023 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 41.3 t -62.92 -35.78 81.2 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 120.937 0.399 . . . . 3.23 110.183 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.5 OUTLIER -67.72 -30.52 70.03 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 106.815 -1.55 . . . . 5.4000000000000004 106.815 178.023 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.997 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 98.6 t -66.19 -51.65 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 114.188 -1.369 . . . . 3.1800000000000002 109.332 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -66.5 -20.5 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 114.541 -1.209 . . . . 3.1200000000000001 112.312 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 2.4 m-80 -93.85 -10.54 33.66 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.753 -0.779 . . . . 4.0700000000000003 112.46 -177.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.557 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 3.8 pt20 161.28 -41.48 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.896 0.748 . . . . 6.0300000000000002 111.398 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.997 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 49.78 58.59 5.28 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.413 0.685 . . . . 4.4800000000000004 111.402 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -15.13 59.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.851 -0.613 . . . . 5.6900000000000004 111.256 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.476 ' HB3' ' OP2' ' D' ' 2' ' ' ' DG' . 69.6 m-70 -128.65 -130.61 0.22 Allowed 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 108.505 -0.924 . . . . 6.5300000000000002 108.505 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.445 HG12 ' N ' ' B' ' 31' ' ' SER . 38.6 t 71.2 157.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 112.406 0.521 . . . . 4.4299999999999997 112.406 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.445 ' N ' HG12 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -93.5 -175.26 3.73 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.079 -0.51 . . . . 3.96 111.217 179.276 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.14 -67.52 0.51 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.665 0.987 . . . . 3.3100000000000001 113.665 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -45.58 -45.32 13.59 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.78 1.03 . . . . 4.9000000000000004 113.78 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.795 ' O ' HG13 ' B' ' 38' ' ' VAL . 8.4 m -59.57 -47.57 85.05 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 112.147 0.425 . . . . 3.1299999999999999 112.147 -178.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.546 ' O ' HG22 ' B' ' 38' ' ' VAL . 6.4 ttm-85 -58.51 -49.08 78.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.853 0.359 . . . . 3.9100000000000001 111.195 -177.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' B' ' 36' ' ' GLU . 7.4 pt-20 -67.8 -29.56 68.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.041 -0.527 . . . . 2.9399999999999999 110.865 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -72.22 -43.14 64.87 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.252 -0.277 . . . . 3.1000000000000001 110.252 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.795 HG13 ' O ' ' B' ' 34' ' ' THR . 2.6 m -68.67 -43.5 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.022 -0.733 . . . . 2.3300000000000001 109.022 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.76 -41.09 90.27 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.448 -0.797 . . . . 3.0 109.027 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.646 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.78 -53.28 56.74 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.053 -0.721 . . . . 2.6499999999999999 109.053 177.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.788 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.28 -51.26 55.79 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 113.048 0.758 . . . . 2.6800000000000002 113.048 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.467 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.8 ptp -64.82 -32.32 73.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.246 -0.279 . . . . 2.7400000000000002 110.246 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.34 -43.66 66.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.416 -0.356 . . . . 3.4300000000000002 111.316 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 3.9 mm-40 -69.26 -45.66 69.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.905 -0.589 . . . . 3.8100000000000001 111.173 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.5 mt -80.94 -0.91 41.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.749 -0.659 . . . . 3.4700000000000002 110.892 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.572 ' OD1' HG12 ' B' ' 48' ' ' ILE . 0.0 OUTLIER 74.12 -42.46 0.51 Allowed 'General case' 0 N--CA 1.475 0.794 0 O-C-N 123.949 0.781 . . . . 4.3899999999999997 110.09 -178.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.768 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 0.9 OUTLIER 68.52 -71.0 0.12 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.213 1.005 . . . . 2.9700000000000002 111.488 178.114 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.71 HD13 ' HD2' ' B' ' 49' ' ' PRO . 0.3 OUTLIER 70.61 138.38 0.06 OUTLIER Pre-proline 0 CA--C 1.551 1.017 0 O-C-N 123.485 0.491 . . . . 3.9700000000000002 110.104 -178.264 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.845 ' HB3' ' HB2' ' B' ' 53' ' ' ALA . 2.6 Cg_endo -41.29 -38.86 3.75 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 124.06 3.174 . . . . 3.6600000000000001 113.853 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 69.64 -66.4 0.27 Allowed 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.658 0.783 . . . . 5.1100000000000003 111.769 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.01 10.23 0.39 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.686 0.625 . . . . 8.3200000000000003 112.686 -178.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -163.55 117.39 1.55 Allowed 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.872 0.844 . . . . 6.1200000000000001 110.75 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.845 ' HB2' ' HB3' ' B' ' 49' ' ' PRO . . . -145.94 -147.83 0.23 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.188 -1.369 . . . . 7.4400000000000004 110.1 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 72.7 -18.66 0.34 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.226 0.825 . . . . 10.52 113.226 178.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -124.51 20.7 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.846 0.355 . . . . 12.48 111.017 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.24 -40.8 81.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.921 -0.581 . . . . 11.92 110.721 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . 52.22 51.22 16.76 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.998 -0.546 . . . . 12.460000000000001 111.083 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.82 133.67 40.22 Favored Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.56 -0.745 . . . . 14.220000000000001 113.301 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -157.68 -170.15 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.242 -0.651 . . . . 16.629999999999999 109.242 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 64.71 -82.22 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.987 0.804 . . . . 18.329999999999998 111.662 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 15.4 m -82.82 54.5 2.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.464 -0.335 . . . . 19.620000000000001 111.685 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' B' ' 62' ' ' LEU . 14.3 mt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.603 -0.713 . . . . 21.170000000000002 110.466 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.537 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 O4'-C1'-N19 108.54 0.925 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.429 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C1'-N19 108.976 1.47 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O4'-C1'-N19 109.181 1.727 . . . . 5.9000000000000004 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O3'-P-O5' 100.125 -2.04 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.055 0 O3'-P-O5' 100.823 -1.672 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . 0.595 ' H62' ' HG2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O3'-P-O5' 100.64 -1.769 . . . . 7.7999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O3'-P-O5' 100.096 -2.055 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.111 0 O4'-C1'-N19 109.29 1.863 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O3'-P-O5' 100.074 -2.066 . . . . 6.2400000000000002 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.031 0 O3'-P-O5' 100.388 -1.901 . . . . 5.0499999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.516 " H3'" ' OH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 O3'--C3' 1.418 -0.964 0 C5'-C4'-C3' 111.128 -2.382 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.402 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.416 -1.15 0 O3'-P-O5' 99.025 -2.618 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.402 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O3'-P-O5' 99.966 -2.123 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O3'-P-O5' 99.921 -2.147 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.031 0 O3'-P-O5' 100.42 -1.884 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O3'-P-O5' 100.639 -1.769 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 108.905 1.381 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 N19-C1'-C2' 115.844 1.027 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.463 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.565 0 O4'-C1'-C2' 107.049 0.863 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.476 ' OP2' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.422 -1.107 0 O4'-C1'-N19 109.474 2.093 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.454 ' OP2' H2'' ' D' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 P-O5'-C5' 118.251 -1.656 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O3'-P-O5' 99.785 -2.219 . . . . 6.2199999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . 0.52 ' H62' ' NE2' ' B' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 O3'-P-O5' 100.958 -1.601 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O3'-P-O5' 100.161 -2.02 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O3'-P-O5' 99.998 -2.106 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.051 0 O3'-P-O5' 100.32 -1.937 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O3'-P-O5' 99.577 -2.328 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.08 0 O3'-P-O5' 100.009 -2.101 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.418 -1.022 0 O3'-P-O5' 99.802 -2.209 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.12 0 O3'-P-O5' 100.056 -2.076 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.07 0 O3'-P-O5' 99.867 -2.175 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O3'-P-O5' 100.095 -2.055 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O3'-P-O5' 100.706 -1.734 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O3'-P-O5' 100.832 -1.668 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O3'-P-O5' 101.265 -1.44 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 N19-C1'-C2' 115.58 0.862 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 tpt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.49 -0.189 . . . . 8.1099999999999994 110.49 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.635 ' HA ' HG21 ' A' ' 48' ' ' ILE . 46.0 mttm -120.43 88.36 42.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.542 -0.54 . . . . 7.29 109.542 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -97.72 -0.22 1.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.292 2.661 . . . . 4.3700000000000001 115.102 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.666 HG13 ' HB2' ' A' ' 8' ' ' ASP . 4.8 t -136.67 147.09 27.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 114.07 1.137 . . . . 3.4500000000000002 114.07 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.412 ' N ' HG12 ' A' ' 4' ' ' VAL . 33.7 p -130.71 165.89 21.91 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 112.446 -2.161 . . . . 3.5499999999999998 105.197 175.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.78 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.2 mt -60.56 -21.1 62.18 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 118.71 -1.196 . . . . 2.8500000000000001 111.529 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -65.0 -38.44 90.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.637 -0.71 . . . . 4.3899999999999997 111.05 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.666 ' HB2' HG13 ' A' ' 4' ' ' VAL . 28.4 m-20 -65.61 -45.78 81.82 Favored 'General case' 0 CA--C 1.507 -0.673 0 CA-C-N 114.461 -1.245 . . . . 4.1299999999999999 110.785 -177.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 42' ' ' MET . 90.7 t -67.17 -39.41 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-O 121.735 0.778 . . . . 2.9100000000000001 108.916 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -59.45 -46.83 87.66 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.352 -1.294 . . . . 3.1400000000000001 111.148 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -67.35 -49.36 64.36 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.29 -0.633 . . . . 5.2400000000000002 109.29 -178.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.787 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 47.7 t80 -61.24 -30.07 70.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.287 -0.869 . . . . 3.8199999999999998 111.74 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.693 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -81.68 -27.29 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.815 0.817 . . . . 2.8700000000000001 109.485 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.0 34.16 9.09 Favored Glycine 0 N--CA 1.438 -1.177 0 CA-C-N 114.678 -1.146 . . . . 3.2799999999999998 110.305 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.625 HG21 HG12 ' A' ' 38' ' ' VAL . 2.0 m -140.14 146.85 24.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.284 -0.958 . . . . 3.3900000000000001 110.774 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -55.02 149.67 11.53 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.661 0.744 . . . . 4.3399999999999999 110.72 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.658 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 64.0 t80 -49.7 -50.93 41.97 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.328 -1.306 . . . . 3.71 112.285 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.505 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -63.04 -27.58 69.51 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.478 -0.783 . . . . 5.5 112.402 -178.409 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.578 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.5 m -63.08 -61.85 2.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.713 0.292 . . . . 3.6499999999999999 110.826 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.739 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 1.6 m -69.22 -29.33 42.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.393 -0.367 . . . . 2.8500000000000001 111.413 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.2 t -57.97 -45.56 86.53 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.202 -0.666 . . . . 3.1899999999999999 109.202 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.81 -24.04 62.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.583 -0.735 . . . . 4.4400000000000004 110.027 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.82 HG11 HG21 ' A' ' 38' ' ' VAL . 48.0 t -65.55 -51.27 65.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 109.176 -0.676 . . . . 2.9100000000000001 109.176 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.71 -21.1 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 115.321 -0.854 . . . . 2.7200000000000002 110.961 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.617 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 10.3 m-80 -100.42 13.0 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.873 0.694 . . . . 3.6800000000000002 112.873 -177.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.617 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 67.3 mt-30 89.97 90.23 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.978 0.894 . . . . 6.0800000000000001 110.377 177.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.533 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -85.0 113.6 21.55 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.343 -1.299 . . . . 4.6299999999999999 110.368 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.53 -23.27 63.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.86 -0.609 . . . . 5.0899999999999999 112.113 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.446 ' HB3' ' H ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -131.62 -124.55 0.2 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.292 -0.633 . . . . 5.7999999999999998 109.292 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.483 HG13 ' OP2' ' C' ' 3' ' ' ' DA' . 54.8 t 71.17 156.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 120.997 0.427 . . . . 4.2300000000000004 110.893 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.6 m -85.92 163.09 18.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.226 0.536 . . . . 3.6600000000000001 111.572 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -61.77 -56.35 20.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.226 -0.897 . . . . 3.2799999999999998 110.722 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 39.5 pttt -52.21 -29.07 20.9 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.714 0.634 . . . . 4.5899999999999999 112.021 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.913 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 2.1 m -70.78 -51.17 28.71 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 121.01 -0.276 . . . . 2.8599999999999999 111.645 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 12.7 mtm180 -58.76 -46.47 87.41 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.44 -0.345 . . . . 4.1600000000000001 110.417 -178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 4.1 pt-20 -67.96 -28.84 67.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.867 -0.606 . . . . 3.5499999999999998 111.035 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.913 ' HD2' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -74.6 -41.68 60.01 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.54 -0.541 . . . . 2.8399999999999999 109.54 179.231 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.82 HG21 HG11 ' A' ' 23' ' ' VAL . 2.3 m -68.75 -44.53 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 N-CA-C 108.309 -0.997 . . . . 2.2599999999999998 108.309 177.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.551 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -57.28 -45.28 84.24 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.133 -0.939 . . . . 3.27 109.515 177.637 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.69 -54.81 40.73 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 109.072 -0.714 . . . . 2.8599999999999999 109.072 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.787 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.55 -51.03 51.73 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 113.117 0.784 . . . . 2.8900000000000001 113.117 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.458 ' N ' HG13 ' A' ' 9' ' ' VAL . 15.1 ptp -64.85 -32.07 73.59 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.842 -0.343 . . . . 2.8799999999999999 110.279 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.87 -44.91 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 3.6000000000000001 111.067 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.41 -43.14 74.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.818 -0.628 . . . . 4.0899999999999999 110.729 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -81.22 0.09 38.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.986 -0.552 . . . . 3.71 110.926 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.51 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 3.9 t30 74.9 -45.29 0.57 Allowed 'General case' 0 N--CA 1.474 0.754 0 O-C-N 123.708 0.63 . . . . 4.1799999999999997 110.624 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.78 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.8 t80 53.61 84.15 0.06 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.743 0.783 . . . . 3.1000000000000001 111.925 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.635 HG21 ' HA ' ' A' ' 2' ' ' LYS . 7.3 tp -74.44 132.41 78.74 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.151 -0.931 . . . . 3.7000000000000002 110.311 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 32.2 Cg_exo -59.85 148.85 86.76 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.804 2.336 . . . . 3.6000000000000001 113.064 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -118.43 -123.97 0.28 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.868 -0.605 . . . . 5.1399999999999997 110.078 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 52' ' ' CYS . 21.5 ttm180 57.18 41.28 27.28 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.031 0.532 . . . . 9.0 111.501 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 5.2 t 174.19 134.3 0.03 OUTLIER 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.584 -0.895 . . . . 5.8700000000000001 108.584 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -150.59 97.39 2.5 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.538 -1.21 . . . . 7.9500000000000002 111.009 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.417 ' HA ' ' OD1' ' B' ' 25' ' ' ASN . 0.3 OUTLIER -97.53 25.24 5.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.783 -0.644 . . . . 10.550000000000001 110.325 -179.327 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -172.24 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.439 -0.8 . . . . 13.16 110.151 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.791 ' HG ' ' H ' ' A' ' 57' ' ' ALA . 13.2 tp 54.5 -155.56 0.24 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.441 -0.8 . . . . 12.140000000000001 110.601 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.791 ' H ' ' HG ' ' A' ' 56' ' ' LEU . . . -110.47 5.75 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.082 0.468 . . . . 14.140000000000001 110.192 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.32 -67.98 1.53 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.8 -0.714 . . . . 16.039999999999999 111.813 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -74.08 -36.19 64.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.893 0.378 . . . . 17.800000000000001 110.264 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -95.29 61.66 2.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.909 -0.587 . . . . 19.609999999999999 109.978 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.74 -76.17 0.55 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.741 -0.663 . . . . 20.57 110.402 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.464 0.268 0 CA-C-N 115.7 -0.682 . . . . 21.890000000000001 111.518 179.549 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 C--O 1.234 0.264 0 CA-C-O 121.08 0.467 . . . . 10.35 110.71 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -122.93 119.98 27.72 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 8.3300000000000001 110.973 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -85.16 -156.82 0.07 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.918 2.412 . . . . 4.4900000000000002 110.615 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.628 HG13 ' HB2' ' B' ' 8' ' ' ASP . 60.9 t -104.56 138.71 28.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 122.23 1.014 . . . . 3.1600000000000001 111.155 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.566 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.1 OUTLIER -109.64 154.89 22.18 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 104.578 -2.379 . . . . 3.1699999999999999 104.578 176.604 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 1.047 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.0 OUTLIER -60.03 -20.63 58.89 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.279 -1.368 . . . . 2.5600000000000001 110.381 -178.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.81 -33.93 76.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.78 -1.1 . . . . 4.2800000000000002 110.159 177.249 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.628 ' HB2' HG13 ' B' ' 4' ' ' VAL . 1.7 m-20 -65.4 -46.3 80.59 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.642 -1.163 . . . . 3.77 109.921 -178.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' B' ' 42' ' ' MET . 95.9 t -67.84 -42.08 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 114.732 -1.122 . . . . 2.6800000000000002 109.323 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.568 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.19 -46.2 86.22 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.216 -1.356 . . . . 3.1299999999999999 111.273 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -49.99 65.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.481 0.658 . . . . 5.21 109.478 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.853 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 35.6 t80 -60.09 -28.83 68.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.956 -1.02 . . . . 3.6200000000000001 111.587 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.97 -26.12 27.33 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.509 0.671 . . . . 2.9399999999999999 109.562 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.49 31.77 15.3 Favored Glycine 0 CA--C 1.497 -1.08 0 CA-C-N 114.697 -1.138 . . . . 3.6600000000000001 111.242 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.697 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.0 m -139.68 149.15 22.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 114.563 -0.819 . . . . 3.5299999999999998 111.303 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.481 ' O ' ' HB ' ' B' ' 19' ' ' THR . 5.6 m -47.82 156.77 0.31 Allowed 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.111 0.481 . . . . 4.3799999999999999 110.891 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.815 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 65.6 t80 -54.98 -56.83 15.38 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.092 -0.958 . . . . 3.6200000000000001 109.591 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.853 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.285 0.0 OUTLIER -76.79 11.04 1.87 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 118.367 -1.333 . . . . 5.04 113.538 177.631 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.697 HG21 ' HB ' ' B' ' 15' ' ' VAL . 27.0 m -72.26 -60.14 2.38 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 102.689 -3.078 . . . . 3.7799999999999998 102.689 172.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.774 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.0 OUTLIER -77.25 -33.58 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.132 0 CA-C-N 111.697 -2.502 . . . . 2.9300000000000002 112.252 178.077 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.853 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 17.9 t -62.93 -33.97 76.47 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.454 -0.943 . . . . 3.23 108.454 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 2.5 ttm180 -69.54 -30.78 68.67 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.498 -1.297 . . . . 5.4000000000000004 107.498 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 1.002 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 72.3 t -65.19 -51.42 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.3 -1.318 . . . . 3.1800000000000002 108.209 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -68.23 -20.2 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.344 -0.844 . . . . 3.1200000000000001 111.291 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 4.0 m-80 -100.96 18.05 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 122.248 -0.283 . . . . 4.0700000000000003 111.3 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 92.3 mm-40 89.78 81.33 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 124.105 0.962 . . . . 6.0300000000000002 108.975 178.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 1.002 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -71.34 85.73 0.81 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 113.711 -1.586 . . . . 4.4800000000000004 112.475 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.41 -15.01 47.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.205 0.526 . . . . 5.6900000000000004 110.673 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.573 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 30.1 m-70 -137.87 87.37 2.24 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.161 -0.472 . . . . 6.5300000000000002 110.678 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.1 m -153.32 170.29 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 CA-C-N 115.727 -0.669 . . . . 4.4299999999999997 109.794 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.05 177.19 5.68 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.616 -0.434 . . . . 3.96 110.669 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.46 -67.49 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.501 0.556 . . . . 3.3100000000000001 112.501 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -48.23 -47.81 35.56 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 112.391 0.515 . . . . 4.9000000000000004 112.391 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.694 ' O ' HG13 ' B' ' 38' ' ' VAL . 8.0 m -50.45 -45.18 55.83 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.11 -0.496 . . . . 3.1299999999999999 112.03 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 51.8 mtm180 -62.3 -41.7 98.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.22 0.533 . . . . 3.9100000000000001 109.976 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -68.06 -32.42 72.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.138 -0.937 . . . . 2.9399999999999999 110.323 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -71.45 -47.13 57.69 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.93 -0.577 . . . . 3.1000000000000001 110.561 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.828 HG21 HG11 ' B' ' 23' ' ' VAL . 3.0 m -66.74 -43.56 89.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.439 -0.578 . . . . 2.3300000000000001 109.439 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.9 mt-10 -60.13 -43.73 95.45 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.842 -0.617 . . . . 3.0 109.456 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.75 -51.88 65.39 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.012 -0.736 . . . . 2.6499999999999999 109.012 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.853 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.04 -51.39 57.76 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.985 0.735 . . . . 2.6800000000000002 112.985 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.466 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.1 ptp -64.99 -31.76 73.15 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.233 -0.284 . . . . 2.7400000000000002 110.233 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 -45.7 63.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.872 0.368 . . . . 3.4300000000000002 111.282 -178.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 41.1 mm-40 -66.26 -44.61 83.18 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.921 -0.582 . . . . 3.8100000000000001 110.841 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.4 mt -81.72 0.42 39.0 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.309 -0.859 . . . . 3.4700000000000002 110.849 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 7.7 t30 74.21 -45.86 0.6 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.39 0.676 . . . . 4.3899999999999997 110.809 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 1.047 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 5.1 t80 47.67 82.87 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 O-C-N 123.952 0.783 . . . . 2.9700000000000002 112.264 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' B' ' 48' ' ' ILE . 7.7 tp -75.07 127.57 86.45 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.309 -0.859 . . . . 3.9700000000000002 110.261 179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -66.36 113.53 2.71 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.345 2.03 . . . . 3.6600000000000001 111.939 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -61.55 -58.88 6.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 5.1100000000000003 111.707 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -157.99 39.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.048 0.451 . . . . 8.3200000000000003 111.219 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.405 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 32.5 m -130.87 -47.45 1.03 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.488 -0.324 . . . . 6.1200000000000001 111.333 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 52' ' ' CYS . . . 68.63 -167.34 0.19 Allowed 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.752 0.657 . . . . 7.4400000000000004 111.065 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -121.08 -127.33 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.314 -0.403 . . . . 10.52 110.199 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -78.57 55.29 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.264 0.554 . . . . 12.48 111.055 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mp -111.47 -27.95 8.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.862 -0.608 . . . . 11.92 110.519 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.71 110.32 2.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 12.460000000000001 110.935 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.07 18.71 74.11 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.96 -0.638 . . . . 14.220000000000001 112.49 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -140.56 -35.02 0.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.245 0.545 . . . . 16.629999999999999 110.632 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -130.49 -165.21 1.52 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.619 -0.719 . . . . 18.329999999999998 110.133 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.92 150.26 33.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.074 -0.512 . . . . 19.620000000000001 109.838 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--O 1.243 0.747 0 CA-C-O 118.82 -0.61 . . . . 21.170000000000002 109.4 179.812 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.426 H2'' ' C8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.513 -0.532 0 O4'-C1'-N19 108.571 0.964 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.426 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.13 0 O4'-C1'-N19 109.391 1.988 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.483 ' OP2' HG13 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 O4'-C1'-N19 109.118 1.647 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O3'-P-O5' 100.818 -1.675 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-N19 108.933 1.417 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-N19 109.324 1.905 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-N19 109.524 2.155 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.418 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-N19 109.323 1.903 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.431 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O3'-P-O5' 101.333 -1.404 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.485 ' C8 ' ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C1'-N19 108.89 1.363 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.566 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.455 0.824 0 O4'-C1'-N19 110.03 2.787 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O3'-P-O5' 99.718 -2.254 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O3'-P-O5' 100.422 -1.883 . . . . 6.0800000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 O3'-P-O5' 100.774 -1.698 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C1'-N19 109.213 1.766 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O3'-P-O5' 100.733 -1.72 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O3'-P-O5' 101.453 -1.341 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 N19-C1'-C2' 115.987 1.117 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.486 0 O4'-C1'-C2' 106.954 0.777 . . . . 7.4000000000000004 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.573 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.422 -1.121 0 O4'-C1'-N19 109.56 2.2 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.456 ' OP2' H2'' ' D' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 109.32 1.9 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 O3'-P-O5' 100.309 -1.942 . . . . 6.2199999999999998 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 108.793 1.241 . . . . 7.4699999999999998 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 O4'-C1'-N19 109.569 2.211 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-N19 109.401 2.002 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.061 0 O4'-C1'-N19 109.218 1.772 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.408 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.039 0 O3'-P-O5' 100.673 -1.751 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . 0.423 " C2'" ' H71' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.906 0 O3'-P-O5' 101.416 -1.36 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . 0.423 ' H71' " C2'" ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.421 -0.777 0 O4'-C1'-N19 109.804 2.506 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.992 0 O4'-C1'-N19 109.557 2.196 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O3'-P-O5' 100.463 -1.862 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O3'-P-O5' 100.779 -1.695 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-N19 109.159 1.699 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-N19 109.196 1.745 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O3'-P-O5' 101.439 -1.348 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 107.049 0.863 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 mtt . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.391 -0.225 . . . . 8.1099999999999994 110.391 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.496 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 29.3 ttpt -108.4 -47.67 0.1 OUTLIER Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 116.443 -0.344 . . . . 7.29 111.357 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.531 ' HA ' ' HG2' ' A' ' 49' ' ' PRO . 75.5 Cg_exo -57.25 155.22 30.54 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.395 2.063 . . . . 4.3700000000000001 113.544 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.688 HG13 ' HB2' ' A' ' 8' ' ' ASP . 80.1 t -136.13 141.97 40.08 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 CA-C-N 115.351 -0.84 . . . . 3.4500000000000002 110.175 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.9 p -106.54 161.54 14.52 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.416 -1.327 . . . . 3.5499999999999998 107.416 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.816 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.5 mt -59.53 -24.5 63.73 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.435 -0.906 . . . . 2.8500000000000001 110.611 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -65.32 -37.52 87.36 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.784 0.802 . . . . 4.3899999999999997 110.054 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.688 ' HB2' HG13 ' A' ' 4' ' ' VAL . 22.0 m-20 -65.04 -45.31 85.92 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.076 -1.42 . . . . 4.1299999999999999 109.913 -178.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG13 ' HB3' ' A' ' 41' ' ' ALA . 93.4 t -68.65 -42.06 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 CA-C-N 115.608 -0.724 . . . . 2.9100000000000001 109.179 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.39 -46.85 82.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.628 -1.169 . . . . 3.1400000000000001 111.258 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.6 -49.79 61.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.743 -0.662 . . . . 5.2400000000000002 109.666 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.83 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.1 t80 -61.72 -27.65 68.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.138 -0.937 . . . . 3.8199999999999998 111.549 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.57 -27.41 27.3 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.572 0.701 . . . . 2.8700000000000001 109.77 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.3 35.52 8.72 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 114.792 -1.095 . . . . 3.2799999999999998 110.863 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.732 HG11 HG23 ' A' ' 34' ' ' THR . 3.8 m -139.35 146.06 26.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 114.416 -0.892 . . . . 3.3900000000000001 110.378 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.424 ' O ' ' HB ' ' A' ' 19' ' ' THR . 78.7 p -57.16 145.77 30.22 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.284 -0.567 . . . . 4.3399999999999999 109.998 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.682 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 84.7 t80 -46.53 -51.26 15.83 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.038 -0.983 . . . . 3.71 112.968 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -20.13 65.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.103 -0.499 . . . . 5.5 111.904 -178.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 23' ' ' VAL . 77.8 m -68.93 -61.28 1.86 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.826 -0.435 . . . . 3.6499999999999999 109.826 178.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -68.75 -29.01 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 2.8500000000000001 111.501 -179.482 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -56.98 -45.32 83.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.733 -0.469 . . . . 3.1899999999999999 109.733 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.28 -29.46 66.23 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.275 -0.639 . . . . 4.4400000000000004 109.275 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.035 HG11 HG21 ' A' ' 38' ' ' VAL . 53.7 t -65.95 -49.91 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 114.811 -1.086 . . . . 2.9100000000000001 109.718 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG12 HD22 ' A' ' 25' ' ' ASN . 0.5 OUTLIER -64.11 -20.11 26.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.11 -0.95 . . . . 2.7200000000000002 111.56 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 2.5 m-80 -90.86 -14.34 31.98 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.509 0.559 . . . . 3.6800000000000002 112.509 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.634 ' HB2' ' H ' ' A' ' 62' ' ' LEU . 29.4 pt20 153.63 -42.37 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 O-C-N 124.293 0.996 . . . . 6.0800000000000001 111.356 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.014 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 63.9 175.35 0.17 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.172 0.589 . . . . 4.6299999999999999 111.315 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 p -172.92 -76.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.217 0.532 . . . . 5.0899999999999999 110.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -90.03 75.24 7.15 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.727 0.775 . . . . 5.7999999999999998 109.167 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 t -141.25 150.05 20.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.397 -1.274 . . . . 4.2300000000000004 109.165 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.422 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 26.8 m -73.41 162.25 29.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.279 0.561 . . . . 3.6600000000000001 111.607 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -63.69 -60.0 3.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.154 -0.93 . . . . 3.2799999999999998 111.215 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -50.03 -45.23 51.87 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.695 0.622 . . . . 4.5899999999999999 111.416 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.732 HG23 HG11 ' A' ' 15' ' ' VAL . 4.4 m -50.12 -48.22 53.6 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.352 -0.84 . . . . 2.8599999999999999 111.754 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 38' ' ' VAL . 71.3 mtm-85 -65.02 -37.37 87.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.708 -0.478 . . . . 4.1600000000000001 109.708 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 22.6 mt-10 -66.66 -34.16 77.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.57 -0.741 . . . . 3.5499999999999998 109.726 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -73.1 -47.69 42.18 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.496 -0.775 . . . . 2.8399999999999999 110.541 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.035 HG21 HG11 ' A' ' 23' ' ' VAL . 2.8 m -63.87 -46.4 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 109.179 -0.674 . . . . 2.2599999999999998 109.179 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 16.1 mt-10 -58.66 -48.59 80.54 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.468 -0.787 . . . . 3.27 109.81 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.635 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -58.98 -54.21 49.69 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.39 -0.596 . . . . 2.8599999999999999 109.39 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.83 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.6 -52.17 49.71 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 113.421 0.897 . . . . 2.8900000000000001 113.421 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.401 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.6 ptp -65.84 -32.54 74.12 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.511 -0.476 . . . . 2.8799999999999999 110.308 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.83 -44.02 67.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 3.6000000000000001 111.227 -178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.2 mm-40 -68.27 -44.21 76.05 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.818 -0.628 . . . . 4.0899999999999999 110.577 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.6 mt -80.48 0.25 34.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.578 -0.737 . . . . 3.71 110.691 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.475 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 14.0 t-20 73.73 -51.78 0.7 Allowed 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.722 0.639 . . . . 4.1799999999999997 110.164 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.816 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 3.9 t80 49.75 85.56 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.321 0.86 . . . . 3.1000000000000001 113.321 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.554 HG22 ' CD ' ' A' ' 49' ' ' PRO . 1.2 mp -124.89 -57.9 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.607 -0.724 . . . . 3.7000000000000002 110.318 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.554 ' CD ' HG22 ' A' ' 48' ' ' ILE . 20.0 Cg_endo -97.29 107.81 0.09 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.614 2.209 . . . . 3.6000000000000001 112.983 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' A' ' 4' ' ' VAL . 31.0 p-10 -88.07 -25.52 23.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.802 -0.635 . . . . 5.1399999999999997 110.593 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 28.3 ttp85 170.36 -30.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.069 -1.085 . . . . 9.0 108.069 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' B' ' 52' ' ' CYS . 50.3 t -173.72 -60.12 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 114.625 -1.171 . . . . 5.8700000000000001 108.916 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' B' ' 52' ' ' CYS . . . -177.44 -169.8 0.25 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.7 -0.682 . . . . 7.9500000000000002 109.422 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -126.31 172.65 9.94 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.445 -0.576 . . . . 10.550000000000001 109.445 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.52 ' HG2' HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -83.65 22.86 1.03 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.226 0.536 . . . . 13.16 109.873 179.425 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.52 HD22 ' HG2' ' A' ' 55' ' ' GLN . 1.5 mm? -127.27 134.32 50.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.792 -0.64 . . . . 12.140000000000001 110.394 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.85 23.1 12.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.344 0.592 . . . . 14.140000000000001 110.106 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.35 93.63 0.47 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.369 -0.832 . . . . 16.039999999999999 111.561 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -137.8 108.03 6.44 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.994 -0.373 . . . . 17.800000000000001 109.994 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.85 54.59 0.59 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.395 0.616 . . . . 19.609999999999999 109.384 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -11.22 58.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.424 -0.807 . . . . 20.57 112.0 -178.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.634 ' H ' ' HB2' ' A' ' 26' ' ' GLN . 51.9 tp . . . . . 0 C--O 1.236 0.383 0 CA-C-N 115.991 -0.55 . . . . 21.890000000000001 111.148 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.9 tpp . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.424 0.154 . . . . 10.35 110.622 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? 68.09 105.09 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.265 0 O-C-N 123.932 0.77 . . . . 8.3300000000000001 111.397 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.77 121.16 9.54 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.621 2.214 . . . . 4.4900000000000002 111.923 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.624 HG13 ' CB ' ' B' ' 8' ' ' ASP . 83.2 t -69.88 140.71 18.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 122.048 0.928 . . . . 3.1600000000000001 111.53 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.3 OUTLIER -97.47 151.37 20.06 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 105.916 -1.883 . . . . 3.1699999999999999 105.916 177.029 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.875 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.1 mt -60.11 -21.87 62.08 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.187 -1.405 . . . . 2.5600000000000001 109.922 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -36.16 83.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.761 -1.109 . . . . 4.2800000000000002 109.962 177.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.624 ' CB ' HG13 ' B' ' 4' ' ' VAL . 4.9 m-20 -65.45 -44.04 88.52 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.429 -1.26 . . . . 3.77 109.867 -178.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' B' ' 42' ' ' MET . 96.0 t -67.29 -41.6 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 115.192 -0.913 . . . . 2.6800000000000002 109.254 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.486 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.15 -46.33 90.04 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.189 -1.369 . . . . 3.1299999999999999 111.444 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -65.03 -49.37 70.42 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.193 -0.669 . . . . 5.21 109.193 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.762 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 45.2 t80 -60.4 -28.12 67.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.828 -1.078 . . . . 3.6200000000000001 111.477 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.482 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -86.16 -26.09 25.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.743 0.782 . . . . 2.9399999999999999 109.562 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.64 31.98 16.95 Favored Glycine 0 CA--C 1.5 -0.869 0 CA-C-N 114.582 -1.19 . . . . 3.6600000000000001 111.253 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.696 ' HB ' HG21 ' B' ' 19' ' ' THR . 16.9 m -139.98 150.61 21.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.212 -0.994 . . . . 3.5299999999999998 111.836 -176.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' B' ' 19' ' ' THR . 4.0 m -50.75 151.31 2.47 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.439 0.638 . . . . 4.3799999999999999 110.591 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.875 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.9 t80 -47.91 -58.44 4.39 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.315 -0.857 . . . . 3.6200000000000001 110.666 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.917 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.4 11.58 0.95 Allowed 'General case' 0 C--O 1.245 0.82 0 N-CA-C 113.969 1.099 . . . . 5.04 113.969 -179.106 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.696 HG21 ' HB ' ' B' ' 15' ' ' VAL . 98.9 m -77.51 -63.04 1.47 Allowed 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 102.066 -3.309 . . . . 3.7799999999999998 102.066 173.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 1.035 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.8 OUTLIER -75.63 -30.54 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 112.586 -2.097 . . . . 2.9300000000000002 112.056 176.66 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.917 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 8.6 t -63.69 -37.11 86.12 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.019 -0.734 . . . . 3.23 109.019 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.441 ' HD3' HG22 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -68.34 -28.31 67.03 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 107.595 -1.261 . . . . 5.4000000000000004 107.595 178.313 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.941 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 69.8 t -65.12 -51.03 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.925 0 CA-C-N 114.429 -1.259 . . . . 3.1800000000000002 108.564 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.67 -21.3 25.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 115.295 -0.866 . . . . 3.1200000000000001 111.446 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.632 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 3.5 m-80 -99.15 20.05 14.18 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.451 -0.341 . . . . 4.0700000000000003 111.409 -177.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.632 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 65.8 mt-30 95.32 82.67 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.671 0 O-C-N 124.661 1.225 . . . . 6.0300000000000002 108.924 178.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.941 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -75.85 62.46 1.57 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.027 -1.442 . . . . 4.4800000000000004 112.356 -178.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p -78.39 -17.17 56.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.421 0.629 . . . . 5.6900000000000004 110.108 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -127.2 78.39 1.81 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.613 -0.721 . . . . 6.5300000000000002 110.251 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.629 ' HA ' " H3'" ' D' ' 2' ' ' ' DG' . 41.6 t -152.82 154.84 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 116.171 -0.468 . . . . 4.4299999999999997 110.11 -178.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.434 ' N ' HG12 ' B' ' 30' ' ' VAL . 0.1 OUTLIER -87.75 169.1 12.38 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.886 0.374 . . . . 3.96 110.789 179.323 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' B' ' 36' ' ' GLU . . . -58.6 -71.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.356 0.873 . . . . 3.3100000000000001 113.356 -178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 21.1 pttm -45.24 -38.64 5.64 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.462 0.912 . . . . 4.9000000000000004 113.462 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.72 ' O ' HG13 ' B' ' 38' ' ' VAL . 5.3 m -62.97 -51.37 67.12 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 112.052 0.39 . . . . 3.1299999999999999 112.052 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 35' ' ' ARG . 16.5 mtm180 -61.99 -36.46 81.58 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 120.98 0.419 . . . . 3.9100000000000001 110.702 -178.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 32' ' ' ALA . 39.7 mm-40 -66.08 -40.04 90.51 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.476 -0.784 . . . . 2.9399999999999999 111.39 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' B' ' 33' ' ' LYS . 6.4 pttt -82.07 -35.96 28.13 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 119.742 -0.783 . . . . 3.1000000000000001 111.995 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 1.035 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 4.4 m -65.25 -46.97 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 109.043 -0.725 . . . . 2.3300000000000001 109.043 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.429 ' N ' HG23 ' B' ' 38' ' ' VAL . 11.6 mt-10 -63.39 -37.16 86.21 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.054 -0.721 . . . . 3.0 109.054 177.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.31 -56.11 25.43 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.086 -1.079 . . . . 2.6499999999999999 108.086 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.762 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.25 -51.22 46.43 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.498 -0.773 . . . . 2.6800000000000002 112.861 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.456 ' HA ' HG22 ' B' ' 9' ' ' VAL . 17.1 ptp -64.62 -32.69 74.45 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.577 -0.449 . . . . 2.7400000000000002 110.265 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.31 -45.86 62.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 3.4300000000000002 111.119 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -41.75 88.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.838 -0.619 . . . . 3.8100000000000001 110.177 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.3 mt -80.72 0.45 34.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.588 -0.733 . . . . 3.4700000000000002 110.585 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 76.88 -54.21 0.57 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.436 0.694 . . . . 4.3899999999999997 110.096 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.805 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 4.4 t80 45.27 95.73 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.173 0.921 . . . . 2.9700000000000002 112.279 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.84 137.82 44.46 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.599 -0.728 . . . . 3.9700000000000002 111.721 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -86.74 38.56 0.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 123.065 2.51 . . . . 3.6600000000000001 113.266 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.425 ' HB2' HD11 ' B' ' 62' ' ' LEU . 14.3 t-20 -141.26 89.54 2.24 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.801 -0.444 . . . . 5.1100000000000003 109.801 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -143.3 32.49 1.34 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.002 -0.545 . . . . 8.3200000000000003 110.398 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -175.19 123.24 0.23 Allowed 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.861 0.838 . . . . 6.1200000000000001 109.963 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.91 77.34 1.16 Allowed 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 113.976 -1.465 . . . . 7.4400000000000004 110.526 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -97.71 -67.73 0.83 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.032 -0.531 . . . . 10.52 110.685 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -128.85 5.07 5.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.506 -0.315 . . . . 12.48 111.348 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.465 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.4 OUTLIER -161.25 117.24 2.17 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.127 -0.324 . . . . 11.92 110.127 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -172.19 109.41 0.24 Allowed 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.755 0.659 . . . . 12.460000000000001 110.031 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.55 54.31 3.53 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.528 -0.844 . . . . 14.220000000000001 112.178 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -95.43 -55.9 2.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.565 -0.531 . . . . 16.629999999999999 109.565 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -150.32 -73.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.728 -0.669 . . . . 18.329999999999998 110.484 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 3.8 m -96.93 -13.11 22.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.275 0.56 . . . . 19.620000000000001 110.023 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' B' ' 50' ' ' ASN . 19.2 tp . . . . . 0 C--O 1.252 1.214 0 CA-C-O 117.353 -1.308 . . . . 21.170000000000002 108.19 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.649 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 O4'-C1'-N19 108.6 1.0 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.401 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 O4'-C1'-N19 109.478 2.097 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 109.215 1.769 . . . . 5.9000000000000004 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 O3'-P-O5' 100.56 -1.811 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-N19 108.878 1.347 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C1'-N19 109.428 2.036 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C1'-N19 109.474 2.092 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.418 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C1'-N19 109.389 1.987 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.425 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O3'-P-O5' 100.896 -1.634 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.425 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-N19 108.879 1.349 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.426 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.456 0.886 0 O4'-C1'-N19 110.33 3.163 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.458 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.419 -0.948 0 O3'-P-O5' 99.28 -2.484 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.458 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O3'-P-O5' 100.082 -2.062 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O4'-C1'-N19 109.224 1.78 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.04 0 O3'-P-O5' 100.983 -1.588 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-N19 109.265 1.831 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O3'-P-O5' 101.499 -1.316 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.153 0.957 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.447 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.576 0 O4'-C1'-N19 108.77 1.213 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.629 " H3'" ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 O4'-C1'-N19 109.437 2.046 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.455 H2'' ' OP2' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.07 0 O4'-C1'-N19 109.793 2.492 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.455 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.65 0 O3'-P-O5' 100.13 -2.037 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . 0.425 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-N19 109.005 1.507 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-N19 109.644 2.305 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 109.573 2.216 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.411 " C2'" ' H72' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-N19 109.259 1.823 . . . . 7.7699999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.419 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O3'-P-O5' 100.614 -1.782 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . 0.436 ' C8 ' ' H72' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-N19 108.986 1.483 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . 0.455 " H2'" ' OH ' ' A' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.817 2.521 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.079 0 O3'-P-O5' 100.071 -2.068 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . 0.405 " C2'" ' H72' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O3'-P-O5' 99.852 -2.183 . . . . 5.6500000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.405 ' H72' " C2'" ' D' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O3'-P-O5' 100.577 -1.802 . . . . 7.2400000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-N19 109.227 1.783 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 O4'-C1'-N19 109.277 1.846 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O3'-P-O5' 101.335 -1.402 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 107.156 0.96 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.9 ttp . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.815 0.341 . . . . 8.1099999999999994 110.991 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -112.59 133.32 21.88 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.018 -0.537 . . . . 7.29 109.659 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -51.75 128.4 26.23 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.805 2.336 . . . . 4.3700000000000001 112.035 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.721 HG13 ' HB2' ' A' ' 8' ' ' ASP . 48.5 t -103.37 145.14 12.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.259 1.028 . . . . 3.4500000000000002 112.38 -177.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.464 HG22 ' OP1' ' D' ' 11' ' ' ' DT' . 0.2 OUTLIER -114.8 159.36 20.7 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 105.975 -1.861 . . . . 3.5499999999999998 105.975 176.626 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.847 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.8 mt -58.29 -24.26 58.96 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 119.144 -1.023 . . . . 2.8500000000000001 111.687 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -64.63 -35.86 82.38 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.73 0.776 . . . . 4.3899999999999997 110.553 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.721 ' HB2' HG13 ' A' ' 4' ' ' VAL . 8.2 m-20 -66.12 -46.53 77.24 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 114.469 -1.241 . . . . 4.1299999999999999 110.408 -177.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.55 HG13 ' HB3' ' A' ' 41' ' ' ALA . 95.2 t -67.85 -41.25 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 CA-C-N 115.514 -0.766 . . . . 2.9100000000000001 109.368 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.545 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.74 -46.4 84.53 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.666 -1.152 . . . . 3.1400000000000001 111.32 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -49.96 57.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.929 -0.578 . . . . 5.2400000000000002 109.714 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.828 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 49.7 t80 -61.34 -27.96 68.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.156 -0.929 . . . . 3.8199999999999998 111.673 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.743 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -84.03 -28.51 27.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.621 0.724 . . . . 2.8700000000000001 109.749 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.3 36.4 7.56 Favored Glycine 0 N--CA 1.44 -1.059 0 N-CA-C 110.563 -1.015 . . . . 3.2799999999999998 110.563 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.678 HG11 HG23 ' A' ' 34' ' ' THR . 2.2 m -140.61 147.1 23.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.368 -0.916 . . . . 3.3900000000000001 110.657 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 m -56.01 150.08 14.28 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.652 0.739 . . . . 4.3399999999999999 110.406 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.685 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 78.3 t80 -52.63 -50.2 63.6 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 114.393 -1.276 . . . . 3.71 111.657 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -21.76 64.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.387 -0.824 . . . . 5.5 111.76 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.5 m -70.15 -61.86 1.61 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.776 0.322 . . . . 3.6499999999999999 110.504 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.545 HG11 ' HA ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -69.13 -29.34 42.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.045 -0.525 . . . . 2.8500000000000001 111.831 -179.159 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 t -58.7 -42.63 89.07 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.341 -0.615 . . . . 3.1899999999999999 109.341 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -69.93 -29.9 67.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.014 -0.735 . . . . 4.4400000000000004 109.014 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.014 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 76.8 t -66.47 -49.55 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.725 -1.125 . . . . 2.9100000000000001 110.176 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.26 -16.62 19.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.019 -0.991 . . . . 2.7200000000000002 111.609 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -103.52 -11.38 17.81 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.144 0.794 . . . . 3.6800000000000002 113.144 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 171.83 -64.22 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.164 0.586 . . . . 6.0800000000000001 111.587 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.014 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 66.25 68.96 0.44 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.784 -0.644 . . . . 4.6299999999999999 111.177 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -78.18 -40.78 36.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.876 -0.602 . . . . 5.0899999999999999 111.402 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -121.15 88.31 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 5.7999999999999998 110.29 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.804 HG21 ' HB1' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -146.95 151.99 13.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.665 -0.698 . . . . 4.2300000000000004 110.3 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.63 170.08 17.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.808 0.337 . . . . 3.6600000000000001 111.245 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -63.08 -71.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.727 -0.67 . . . . 3.2799999999999998 111.923 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -43.83 -42.07 5.42 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 122.893 0.477 . . . . 4.5899999999999999 112.238 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.996 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 55.3 m -56.13 -50.29 71.52 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 112.426 0.528 . . . . 2.8599999999999999 112.426 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' HG22 ' A' ' 38' ' ' VAL . 20.7 mtm-85 -64.89 -39.55 93.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.402 0.62 . . . . 4.1600000000000001 109.764 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 8.3 mm-40 -67.06 -30.82 70.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.816 -1.084 . . . . 3.5499999999999998 110.497 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.996 ' HD2' ' HA ' ' A' ' 34' ' ' THR . 1.6 ptmt -80.67 -39.74 26.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.567 -0.288 . . . . 2.8399999999999999 110.453 -178.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.965 HG21 HG11 ' A' ' 23' ' ' VAL . 3.6 m -66.71 -47.43 83.09 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 N-CA-C 108.773 -0.825 . . . . 2.2599999999999998 108.773 178.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -61.72 -40.33 94.67 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.948 -0.569 . . . . 3.27 109.838 178.192 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.638 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -62.15 -53.82 49.85 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.914 -0.773 . . . . 2.8599999999999999 108.914 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.828 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.74 -51.46 56.04 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.826 -0.624 . . . . 2.8900000000000001 112.596 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.2 ptp -64.8 -31.86 73.29 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 120.8 -0.36 . . . . 2.8799999999999999 110.204 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.24 66.66 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.0 0.429 . . . . 3.6000000000000001 111.222 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 14.6 mm-40 -69.15 -44.77 71.6 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.944 -0.571 . . . . 4.0899999999999999 110.57 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -80.55 -1.09 40.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.536 -0.756 . . . . 3.71 109.975 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 t30 70.71 -39.78 0.46 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.138 0.975 . . . . 4.1799999999999997 111.398 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.847 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.2 t80 52.08 54.53 10.66 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 122.053 0.93 . . . . 3.1000000000000001 110.061 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.0 tp -64.92 130.09 94.71 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 114.154 -1.385 . . . . 3.7000000000000002 112.115 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -82.58 161.93 16.79 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.533 2.155 . . . . 3.6000000000000001 111.494 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -62.37 -52.02 65.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.455 -0.339 . . . . 5.1399999999999997 111.046 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -178.22 81.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.075 -0.713 . . . . 9.0 109.075 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.51 109.79 5.91 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 122.009 0.909 . . . . 5.8700000000000001 110.569 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.413 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -120.88 97.47 5.55 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 113.919 -1.491 . . . . 7.9500000000000002 109.619 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.08 -42.71 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.011 0.434 . . . . 10.550000000000001 111.542 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -76.36 30.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.574 0.583 . . . . 13.16 112.574 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.413 HD11 ' HB1' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -127.29 88.18 2.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.083 0.468 . . . . 12.140000000000001 110.297 178.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.72 -82.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 14.140000000000001 111.084 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.79 109.32 0.35 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.665 -0.778 . . . . 16.039999999999999 112.388 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -153.45 -56.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.182 0.515 . . . . 17.800000000000001 109.87 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.73 17.79 22.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.423 -0.808 . . . . 19.609999999999999 110.327 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.52 -28.25 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.652 -0.704 . . . . 20.57 111.13 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 62' ' ' LEU . 3.2 mm? . . . . . 0 N--CA 1.467 0.4 0 CA-C-N 115.766 -0.652 . . . . 21.890000000000001 111.156 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.9 ttt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.8 0.334 . . . . 10.35 110.71 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.448 ' CB ' ' HD3' ' B' ' 3' ' ' PRO . 4.0 ttmt -173.53 -56.37 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.674 -0.694 . . . . 8.3300000000000001 110.724 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.448 ' HD3' ' CB ' ' B' ' 2' ' ' LYS . 38.3 Cg_exo -66.19 103.23 0.62 Allowed 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.282 1.988 . . . . 4.4900000000000002 112.497 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.609 HG13 ' CB ' ' B' ' 8' ' ' ASP . 44.5 t -132.49 143.74 38.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 114.558 -1.201 . . . . 3.1600000000000001 108.737 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.2 OUTLIER -90.92 148.74 22.24 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 106.763 -1.569 . . . . 3.1699999999999999 106.763 177.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.885 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.5 mt -59.67 -22.7 62.31 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 118.705 -1.198 . . . . 2.5600000000000001 110.077 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.486 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.0 OUTLIER -65.39 -36.3 83.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.85 -1.068 . . . . 4.2800000000000002 109.965 176.692 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.609 ' CB ' HG13 ' B' ' 4' ' ' VAL . 4.6 m-20 -65.9 -43.39 88.37 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.455 -1.248 . . . . 3.77 109.584 -178.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' B' ' 42' ' ' MET . 76.1 t -68.61 -42.74 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-O 121.772 0.796 . . . . 2.6800000000000002 109.075 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.475 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.48 -46.42 83.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.241 -1.345 . . . . 3.1299999999999999 111.819 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.27 -48.56 67.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.243 -0.651 . . . . 5.21 109.243 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.798 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.2 t80 -59.75 -28.66 67.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.996 -1.002 . . . . 3.6200000000000001 111.302 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.412 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -85.01 -26.91 26.77 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.461 0.648 . . . . 2.9399999999999999 109.277 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.56 31.11 16.81 Favored Glycine 0 CA--C 1.498 -1.018 0 CA-C-N 114.764 -1.107 . . . . 3.6600000000000001 111.263 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.674 ' HB ' HG21 ' B' ' 19' ' ' THR . 13.3 m -139.14 149.78 23.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.461 -0.87 . . . . 3.5299999999999998 110.334 -177.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.68 158.92 0.41 Allowed 'General case' 0 C--O 1.25 1.089 0 CA-C-O 121.661 0.744 . . . . 4.3799999999999999 109.762 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.885 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 71.1 t80 -53.25 -60.25 3.54 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-N 114.993 -1.003 . . . . 3.6200000000000001 110.11 -178.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.716 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -75.73 13.89 0.74 Allowed 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 114.642 1.349 . . . . 5.04 114.642 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.689 ' O ' HG23 ' B' ' 23' ' ' VAL . 90.1 m -77.69 -59.32 2.83 Favored 'General case' 0 CA--C 1.49 -1.342 1 N-CA-C 99.851 -4.129 . . . . 3.7799999999999998 99.851 171.316 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.825 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 0.5 OUTLIER -76.31 -33.72 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 112.957 -1.929 . . . . 2.9300000000000002 113.206 176.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.716 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 33.1 t -64.95 -36.35 84.1 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.707 -1.245 . . . . 3.23 109.563 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 2.7 ttm180 -63.47 -33.6 75.91 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 106.927 -1.509 . . . . 5.4000000000000004 106.927 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 1.103 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 54.8 t -65.31 -51.76 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 113.759 -1.564 . . . . 3.1800000000000002 109.533 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.0 -21.85 28.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.751 -1.113 . . . . 3.1200000000000001 112.442 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.482 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 2.9 m-80 -92.07 -12.21 33.69 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.849 -0.74 . . . . 4.0700000000000003 112.727 -176.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 3.8 pt20 157.92 -41.41 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.765 0.666 . . . . 6.0300000000000002 111.113 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 1.103 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 60.22 71.97 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.254 -0.884 . . . . 4.4800000000000004 111.685 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.0 -23.36 41.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.012 -0.54 . . . . 5.6900000000000004 111.292 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.664 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 57.4 m-70 -139.24 91.22 2.49 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.819 -0.437 . . . . 6.5300000000000002 109.819 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.448 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 15.3 m -146.9 165.86 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 4.4299999999999997 110.822 -179.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.96 -176.56 3.11 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.911 -0.315 . . . . 3.96 110.972 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.28 -70.87 0.29 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.92 0.711 . . . . 3.3100000000000001 112.92 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -45.88 -39.18 8.29 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.814 0.672 . . . . 4.9000000000000004 112.814 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.709 ' O ' HG13 ' B' ' 38' ' ' VAL . 12.0 m -59.83 -50.19 74.75 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 112.153 0.427 . . . . 3.1299999999999999 112.153 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -64.19 -36.78 85.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.892 0.377 . . . . 3.9100000000000001 110.294 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.14 -34.21 77.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.618 -0.719 . . . . 2.9399999999999999 109.912 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -76.16 -44.39 38.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.984 -0.553 . . . . 3.1000000000000001 111.207 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.894 HG21 HG11 ' B' ' 23' ' ' VAL . 3.5 m -67.19 -46.34 84.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 110.117 -0.327 . . . . 2.3300000000000001 110.117 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.69 -37.88 88.2 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.507 -0.553 . . . . 3.0 109.507 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.595 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -63.24 -54.04 43.49 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 108.418 -0.956 . . . . 2.6499999999999999 108.418 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.798 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.43 -51.43 54.9 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.43 -0.804 . . . . 2.6800000000000002 112.794 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.576 ' HB2' ' HB3' ' B' ' 47' ' ' TYR . 16.7 ptp -65.05 -33.08 75.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.75 0.309 . . . . 2.7400000000000002 110.278 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.85 -43.07 69.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.908 0.385 . . . . 3.4300000000000002 111.059 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 7.4 mm-40 -67.74 -43.27 80.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.87 -0.605 . . . . 3.8100000000000001 110.931 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.7 mt -79.83 -1.24 38.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.768 -0.651 . . . . 3.4700000000000002 110.902 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.424 ' ND2' ' HG3' ' B' ' 2' ' ' LYS . 0.2 OUTLIER 56.87 40.62 28.81 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.826 0.822 . . . . 4.3899999999999997 110.188 179.666 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.827 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 20.0 t80 -58.23 116.78 3.8 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.38 -1.282 . . . . 2.9700000000000002 111.11 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.433 ' H ' HD13 ' B' ' 48' ' ' ILE . 0.2 OUTLIER -54.2 143.13 45.71 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 114.969 -1.014 . . . . 3.9700000000000002 110.564 178.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.83 41.86 0.88 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.024 2.483 . . . . 3.6600000000000001 114.425 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.471 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 1.8 t-20 -164.8 -133.69 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 109.824 -0.435 . . . . 5.1100000000000003 109.824 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.572 ' HD2' ' HG3' ' B' ' 54' ' ' GLN . 3.4 tmt_? 167.51 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 124.066 0.946 . . . . 8.3200000000000003 109.262 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.524 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 64.8 m 79.89 108.66 0.07 Allowed 'General case' 0 CA--C 1.518 -0.257 0 O-C-N 124.146 0.904 . . . . 6.1200000000000001 111.577 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 63.6 82.23 0.19 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.4 -1.273 . . . . 7.4400000000000004 112.746 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.572 ' HG3' ' HD2' ' B' ' 51' ' ' ARG . 1.1 mp0 -108.29 -75.1 0.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.738 -0.665 . . . . 10.52 109.999 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -83.62 -47.31 11.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.916 -0.584 . . . . 12.48 109.812 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 56' ' ' LEU . 2.7 mm? -74.87 88.02 2.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.549 -0.751 . . . . 11.92 110.483 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -161.51 50.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.665 -0.698 . . . . 12.460000000000001 110.086 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.24 -79.99 1.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.966 -0.635 . . . . 14.220000000000001 112.028 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.624 ' H ' H5'' ' D' ' 10' ' ' ' DA' . 13.4 mptt 57.75 50.71 10.26 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 122.982 0.513 . . . . 16.629999999999999 111.486 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -107.73 -158.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.845 -0.616 . . . . 18.329999999999998 110.031 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.46 19.82 17.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.682 0.252 . . . . 19.620000000000001 111.682 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 55.1 mt . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.439 -0.791 . . . . 21.170000000000002 110.348 -179.719 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.665 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.428 0.606 0 O5'-C5'-C4' 111.388 0.849 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.401 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O4'-C1'-N19 109.618 2.272 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.401 ' OP2' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-N19 109.238 1.798 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O3'-P-O5' 100.631 -1.773 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-N19 108.935 1.419 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-N19 109.474 2.093 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-N19 109.624 2.28 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.439 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-N19 109.358 1.948 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.468 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.906 0 O3'-P-O5' 101.105 -1.523 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.468 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-N19 108.952 1.44 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.432 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-N19 109.889 2.611 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.459 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.418 -0.994 0 O3'-P-O5' 99.164 -2.545 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.459 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 O3'-P-O5' 100.459 -1.864 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.018 0 O4'-C1'-N19 109.232 1.79 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C1'-N19 109.269 1.836 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-N19 109.153 1.691 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 N19-C1'-C2' 116.276 1.297 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 N19-C1'-C2' 115.93 1.081 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.519 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.645 0 O4'-C1'-N19 108.516 0.896 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.664 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-N19 109.597 2.246 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.448 ' OP2' H2'' ' D' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-N19 109.328 1.91 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.414 ' H72' " C2'" ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 O3'-P-O5' 100.51 -1.837 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-N19 108.916 1.396 . . . . 7.4699999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-N19 109.529 2.162 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-N19 109.661 2.326 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-N19 109.173 1.716 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O3'-P-O5' 100.78 -1.695 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . 0.624 H5'' ' H ' ' B' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O3'-P-O5' 101.394 -1.372 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . 0.464 ' OP1' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 O3'--C3' 1.42 -0.856 0 O4'-C1'-N19 109.923 2.654 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O3'-P-O5' 100.186 -2.007 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . 0.41 " C2'" ' H72' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O3'-P-O5' 99.977 -2.117 . . . . 5.6500000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.41 ' H72' " C2'" ' D' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O3'-P-O5' 100.782 -1.694 . . . . 7.2400000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-N19 109.205 1.756 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.08 0 O4'-C1'-N19 109.177 1.721 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O3'-P-O5' 101.514 -1.308 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C1'-C2' 107.153 0.958 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.3 ttp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.561 0.22 . . . . 8.1099999999999994 110.952 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 2.8 ttpt -100.05 108.39 51.77 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.641 0.258 . . . . 7.29 111.045 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 6.3 Cg_exo -78.89 -77.95 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.898 2.399 . . . . 4.3700000000000001 111.583 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.625 HG13 ' HB2' ' A' ' 8' ' ' ASP . 25.8 t -131.5 146.52 33.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.027 0.918 . . . . 3.4500000000000002 111.384 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.89 160.34 22.88 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 105.898 -1.89 . . . . 3.5499999999999998 105.898 176.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.713 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 3.7 mt -57.79 -23.43 52.38 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.856 -0.738 . . . . 2.8500000000000001 111.715 -178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -64.57 -38.7 91.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.864 0.84 . . . . 4.3899999999999997 110.293 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.625 ' HB2' HG13 ' A' ' 4' ' ' VAL . 44.7 m-20 -65.72 -44.34 86.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.062 -1.426 . . . . 4.1299999999999999 109.819 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 41' ' ' ALA . 89.5 t -68.62 -42.98 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 CA-C-O 121.537 0.684 . . . . 2.9100000000000001 109.41 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.583 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.06 -47.77 80.17 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.497 -1.229 . . . . 3.1400000000000001 111.529 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.48 -47.9 68.7 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.836 -0.62 . . . . 5.2400000000000002 109.643 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.753 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 55.6 t80 -62.29 -28.32 69.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.298 -0.865 . . . . 3.8199999999999998 111.679 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.06 -27.52 30.21 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.774 0.797 . . . . 2.8700000000000001 109.736 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.91 34.12 9.22 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 114.577 -1.192 . . . . 3.2799999999999998 110.909 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.842 HG11 HG23 ' A' ' 34' ' ' THR . 4.1 m -139.29 147.04 24.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 114.261 -0.97 . . . . 3.3900000000000001 110.178 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -55.45 149.38 13.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.766 0.793 . . . . 4.3399999999999999 110.722 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 65.5 t80 -51.58 -51.18 57.62 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.336 -1.302 . . . . 3.71 112.2 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HB2' HH21 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -62.02 -22.75 65.96 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.981 -1.009 . . . . 5.5 111.989 -179.145 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.2 m -69.93 -60.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.339 0.256 . . . . 3.6499999999999999 110.864 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.624 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 1.3 m -67.98 -28.52 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.414 -0.357 . . . . 2.8500000000000001 111.712 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.5 t -54.97 -45.04 74.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.508 -0.553 . . . . 3.1899999999999999 109.508 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . 10.6 mtt180 -70.28 -27.84 64.73 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.801 -0.636 . . . . 4.4400000000000004 109.954 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.863 HG11 HG21 ' A' ' 38' ' ' VAL . 77.1 t -63.02 -48.9 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 115.333 -0.848 . . . . 2.9100000000000001 109.553 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.06 -20.5 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.527 0.679 . . . . 2.7200000000000002 109.815 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.593 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 10.0 m120 -96.39 5.49 50.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 3.6800000000000002 111.006 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.593 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 13.0 mm100 86.57 -43.63 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.207 1.003 . . . . 6.0800000000000001 111.048 178.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . . . 61.51 -134.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 4.6299999999999999 112.272 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 p -160.52 -43.98 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.84 0.353 . . . . 5.0899999999999999 111.621 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.451 ' HB3' ' H ' ' A' ' 30' ' ' VAL . 10.6 m170 -106.31 -129.35 0.27 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 110.269 -0.271 . . . . 5.7999999999999998 110.269 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.451 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 42.9 t 74.84 151.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 115.515 -0.766 . . . . 4.2300000000000004 110.361 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.85 167.31 15.29 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.024 0.44 . . . . 3.6600000000000001 111.461 -178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.623 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -62.44 -66.21 0.57 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.478 -0.783 . . . . 3.2799999999999998 112.234 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -45.84 -36.19 5.05 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.101 0.778 . . . . 4.5899999999999999 113.101 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.842 HG23 HG11 ' A' ' 15' ' ' VAL . 32.7 m -62.63 -49.74 73.98 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 111.855 0.317 . . . . 2.8599999999999999 111.855 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' O ' HG22 ' A' ' 38' ' ' VAL . 7.0 mtm180 -61.67 -42.23 98.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.095 0.474 . . . . 4.1600000000000001 110.326 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 5.5 mm-40 -65.79 -30.07 70.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.186 -0.916 . . . . 3.5499999999999998 109.322 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -73.92 -46.2 45.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.819 -0.628 . . . . 2.8399999999999999 110.083 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.863 HG21 HG11 ' A' ' 23' ' ' VAL . 1.9 m -65.35 -46.35 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 109.286 -0.635 . . . . 2.2599999999999998 109.286 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -59.78 -40.93 89.9 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.271 -0.64 . . . . 3.27 109.271 178.027 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.89 -56.3 22.75 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 108.601 -0.888 . . . . 2.8599999999999999 108.601 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.753 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.53 -51.08 51.03 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 112.798 0.666 . . . . 2.8900000000000001 112.798 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.413 ' HA ' HG22 ' A' ' 9' ' ' VAL . 15.4 ptp -64.9 -32.16 73.74 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.825 -0.35 . . . . 2.8799999999999999 110.412 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.3 -45.34 63.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 3.6000000000000001 110.817 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.71 -42.77 81.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.703 -0.68 . . . . 4.0899999999999999 110.41 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.4 mt -80.59 0.08 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.701 -0.681 . . . . 3.71 110.482 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.452 ' OD1' ' HB ' ' A' ' 48' ' ' ILE . 0.4 OUTLIER 74.61 -47.47 0.63 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.331 0.652 . . . . 4.1799999999999997 111.008 -179.819 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.713 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.7 t80 48.09 58.86 4.68 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.655 0.74 . . . . 3.1000000000000001 111.88 178.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.452 ' HB ' ' OD1' ' A' ' 46' ' ' ASN . 5.2 tp -77.52 131.0 72.41 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.272 -0.877 . . . . 3.7000000000000002 110.156 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 10.8 Cg_exo -71.69 125.35 11.03 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.55 2.166 . . . . 3.6000000000000001 111.747 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -118.39 -126.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.801 -0.444 . . . . 5.1399999999999997 109.801 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 55.04 38.68 30.9 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.872 0.368 . . . . 9.0 110.09 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 179.54 130.9 0.09 Allowed 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.95 -0.759 . . . . 5.8700000000000001 108.95 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.81 -179.43 3.96 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.723 -1.126 . . . . 7.9500000000000002 111.327 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -121.97 -176.74 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.487 -0.561 . . . . 10.550000000000001 109.487 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -88.72 40.28 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.822 -0.436 . . . . 13.16 109.822 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.37 96.75 10.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.121 -0.491 . . . . 12.140000000000001 110.939 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.49 -28.44 61.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.957 -0.565 . . . . 14.140000000000001 111.132 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.63 80.59 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.795 -0.717 . . . . 16.039999999999999 112.899 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' HG3' ' A' ' 60' ' ' GLN . 37.4 tttp -67.04 112.82 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.006 -0.368 . . . . 17.800000000000001 110.006 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.469 ' HG3' ' HG2' ' A' ' 59' ' ' LYS . 15.7 mt-30 61.25 26.85 16.64 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.667 0.604 . . . . 19.609999999999999 110.224 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.8 m 71.17 -54.36 0.67 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.502 -0.772 . . . . 20.57 111.155 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.697 0.284 . . . . 21.890000000000001 110.69 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.7 ttm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.962 0.41 . . . . 10.35 110.68 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.93 107.83 61.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.209 -0.45 . . . . 8.3300000000000001 110.181 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.79 -157.38 0.06 OUTLIER 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 123.031 2.487 . . . . 4.4900000000000002 112.116 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.459 HG13 ' CB ' ' B' ' 8' ' ' ASP . 47.8 t -57.13 140.3 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 122.41 1.1 . . . . 3.1600000000000001 111.413 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.744 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.2 OUTLIER -105.49 151.09 24.7 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 105.909 -1.886 . . . . 3.1699999999999999 105.909 177.362 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.897 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.5 mt -59.24 -21.64 59.87 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.139 -1.025 . . . . 2.5600000000000001 110.251 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.622 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -64.3 -37.84 88.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.84 -1.073 . . . . 4.2800000000000002 109.34 177.065 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.459 ' CB ' HG13 ' B' ' 4' ' ' VAL . 2.3 m-20 -66.44 -42.35 87.8 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.324 -1.307 . . . . 3.77 109.87 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' B' ' 42' ' ' MET . 73.0 t -67.86 -44.16 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 115.344 -0.844 . . . . 2.6800000000000002 108.78 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.527 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.0 -46.19 85.62 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.068 -1.424 . . . . 3.1299999999999999 111.368 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -63.71 -49.53 72.71 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.264 -0.643 . . . . 5.21 109.264 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.798 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.4 t80 -61.44 -27.28 68.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.874 -1.057 . . . . 3.6200000000000001 111.19 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -27.15 25.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.436 0.636 . . . . 2.9399999999999999 109.413 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.15 33.34 10.83 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 114.747 -1.115 . . . . 3.6600000000000001 111.553 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.618 ' HB ' HG21 ' B' ' 19' ' ' THR . 9.5 m -142.24 151.13 18.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 118.781 -0.628 . . . . 3.5299999999999998 111.726 -176.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' B' ' 19' ' ' THR . 26.5 p -54.63 160.53 1.79 Allowed 'General case' 0 C--N 1.346 0.456 0 CA-C-O 121.972 0.891 . . . . 4.3799999999999999 111.495 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.649 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 69.3 t80 -52.25 -58.41 6.71 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 114.432 -1.258 . . . . 3.6200000000000001 109.408 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.604 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 1.5 tp-100 -73.81 5.95 3.66 Favored 'General case' 0 N--CA 1.432 -1.338 0 O-C-N 123.902 0.751 . . . . 5.04 111.64 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.618 HG21 ' HB ' ' B' ' 15' ' ' VAL . 19.3 m -71.69 -63.24 1.17 Allowed 'General case' 0 C--N 1.303 -1.452 1 N-CA-C 99.68 -4.193 . . . . 3.7799999999999998 99.68 169.516 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.775 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.7 OUTLIER -77.3 -32.83 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 N-CA-C 116.42 2.007 . . . . 2.9300000000000002 116.42 179.241 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.604 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 12.1 t -62.45 -32.6 73.5 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.519 -0.919 . . . . 3.23 108.519 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -68.3 -30.71 69.77 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.055 -1.461 . . . . 5.4000000000000004 107.055 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.985 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 92.7 t -65.48 -51.17 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.194 0 CA-C-N 114.042 -1.435 . . . . 3.1800000000000002 108.24 177.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.25 -20.16 24.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 114.845 -1.07 . . . . 3.1200000000000001 112.381 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.7 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 6.6 m-80 -100.24 18.91 17.57 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.935 -0.478 . . . . 4.0700000000000003 111.216 -177.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.7 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 3.3 mm-40 95.91 81.57 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 124.639 1.212 . . . . 6.0300000000000002 109.143 177.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.985 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -79.5 70.33 5.93 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.528 -1.214 . . . . 4.4800000000000004 111.606 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -78.2 -15.69 58.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.123 -0.49 . . . . 5.6900000000000004 110.757 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.565 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 5.1 m-70 -138.02 89.98 2.44 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.032 -0.531 . . . . 6.5300000000000002 110.068 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.51 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 11.6 m -151.23 -174.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 115.811 -0.631 . . . . 4.4299999999999997 110.831 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 6.4 m -107.63 173.13 6.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.217 -0.447 . . . . 3.96 111.013 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.14 -69.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.294 0.85 . . . . 3.3100000000000001 113.294 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -48.68 -33.16 9.54 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.677 0.621 . . . . 4.9000000000000004 112.677 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.727 ' O ' HG13 ' B' ' 38' ' ' VAL . 31.4 m -58.64 -54.46 46.78 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 121.079 -0.248 . . . . 3.1299999999999999 111.011 179.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.44 ' HA ' HG22 ' B' ' 38' ' ' VAL . 25.8 mtm-85 -60.97 -40.41 93.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 3.9100000000000001 111.174 -177.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -65.64 -33.3 75.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.678 -0.692 . . . . 2.9399999999999999 111.151 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -80.38 -43.64 20.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.34 -0.391 . . . . 3.1000000000000001 110.76 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.775 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.5 m -68.59 -46.89 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 2.3300000000000001 110.673 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.407 ' N ' HG23 ' B' ' 38' ' ' VAL . 19.3 mt-10 -62.53 -37.48 86.23 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.098 -0.704 . . . . 3.0 109.098 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.616 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.73 -53.03 60.58 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.587 -0.894 . . . . 2.6499999999999999 108.587 177.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.798 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.79 -51.92 52.84 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 113.042 0.756 . . . . 2.6800000000000002 113.042 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.438 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.7 ptp -64.4 -32.1 73.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.598 0.237 . . . . 2.7400000000000002 110.413 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.78 -44.39 66.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.427 -0.352 . . . . 3.4300000000000002 111.199 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 5.0 mm-40 -66.68 -44.04 82.83 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.35 0.595 . . . . 3.8100000000000001 110.452 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt -80.38 0.13 34.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.439 -0.8 . . . . 3.4700000000000002 109.937 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 t30 73.1 -48.62 0.69 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.087 0.955 . . . . 4.3899999999999997 110.904 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.897 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 2.1 t80 47.34 64.45 1.58 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.703 0.763 . . . . 2.9700000000000002 110.969 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.54 HD12 ' HD2' ' B' ' 49' ' ' PRO . 11.2 tp -60.93 115.86 15.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.73 -1.123 . . . . 3.9700000000000002 112.553 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.54 ' HD2' HD12 ' B' ' 48' ' ' ILE . 87.9 Cg_endo -84.62 58.81 5.51 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.745 2.297 . . . . 3.6600000000000001 111.805 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -38.93 83.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.898 -0.592 . . . . 5.1100000000000003 111.757 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 51' ' ' ARG . 26.5 ttp-105 -86.31 18.93 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.913 0.387 . . . . 8.3200000000000003 111.102 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.17 -55.85 0.81 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.503 -0.317 . . . . 6.1200000000000001 110.336 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 65.35 82.37 0.19 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.013 0.821 . . . . 7.4400000000000004 111.807 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -81.29 -78.54 0.18 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 10.52 109.963 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -137.0 4.68 2.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.969 -0.56 . . . . 12.48 109.867 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 40.9 mt -130.55 137.71 49.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.534 -0.757 . . . . 11.92 109.857 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.22 -28.43 15.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.197 -0.456 . . . . 12.460000000000001 110.323 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.21 -103.83 0.71 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.747 -0.661 . . . . 14.220000000000001 112.196 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -132.8 151.23 52.05 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.954 -0.387 . . . . 16.629999999999999 109.954 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.49 134.65 34.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.305 -0.407 . . . . 18.329999999999998 110.898 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.9 t -98.5 115.83 29.4 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.594 -0.521 . . . . 19.620000000000001 109.594 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.892 -0.575 . . . . 21.170000000000002 110.21 -179.873 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.579 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-N19 108.577 0.972 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.402 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 O4'-C1'-N19 109.384 1.98 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.419 " C2'" ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.244 1.805 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.419 ' H72' " C2'" ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O3'-P-O5' 100.775 -1.697 . . . . 5.9699999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-N19 108.919 1.399 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 109.52 2.15 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-N19 109.623 2.279 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.447 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-N19 109.371 1.963 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.447 ' H72' " C2'" ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O3'-P-O5' 101.287 -1.428 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.445 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-N19 108.818 1.272 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.744 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.422 -1.112 0 O4'-C1'-N19 109.946 2.682 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.406 H2'' ' OP2' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O3'-P-O5' 99.366 -2.439 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.431 " C2'" ' H72' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O3'-P-O5' 99.486 -2.376 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.431 ' H72' " C2'" ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 O3'-P-O5' 100.719 -1.727 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-N19 109.259 1.824 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O3'-P-O5' 100.456 -1.865 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-N19 108.921 1.401 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 N19-C1'-C2' 116.052 1.158 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.457 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 O5'-C5'-C4' 111.441 0.887 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.565 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.421 -1.189 0 O4'-C1'-N19 109.621 2.276 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.51 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C1'-N19 109.748 2.435 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.489 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 P--OP1 1.495 0.616 0 O3'-P-O5' 99.158 -2.548 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . 0.424 H2'' ' H8 ' ' D' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-N19 108.691 1.114 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . 0.424 ' H8 ' H2'' ' D' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C1'-N19 109.647 2.309 . . . . 7.9699999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-N19 109.73 2.412 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 O4'-C1'-N19 109.18 1.725 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.416 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O3'-P-O5' 100.97 -1.595 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . 0.497 ' C8 ' ' H72' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O4'-C1'-N19 108.969 1.462 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . 0.497 ' H72' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-N19 109.901 2.626 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-N19 109.56 2.2 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O3'-P-O5' 100.283 -1.956 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 O4'-C1'-N19 109.142 1.678 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-N19 109.236 1.795 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-N19 109.261 1.826 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-N19 108.821 1.276 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 107.142 0.948 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.372 0.13 . . . . 8.1099999999999994 110.835 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -109.21 128.5 25.32 Favored Pre-proline 0 C--O 1.232 0.147 0 CA-C-O 120.529 0.204 . . . . 7.29 110.837 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -84.18 -155.49 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.836 2.358 . . . . 4.3700000000000001 111.703 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.695 HG13 ' HB2' ' A' ' 8' ' ' ASP . 57.5 t -115.1 144.56 22.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.744 0.783 . . . . 3.4500000000000002 111.321 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p -113.85 163.95 14.4 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.761 -1.57 . . . . 3.5499999999999998 106.761 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.647 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.5 mt -59.79 -24.4 64.09 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 119.427 -0.909 . . . . 2.8500000000000001 110.889 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -65.08 -38.61 91.33 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.35 -0.841 . . . . 4.3899999999999997 110.465 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.695 ' HB2' HG13 ' A' ' 4' ' ' VAL . 27.8 m-20 -64.86 -45.99 83.74 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 114.107 -1.406 . . . . 4.1299999999999999 110.245 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 41' ' ' ALA . 94.4 t -68.39 -40.67 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-O 121.504 0.669 . . . . 2.9100000000000001 109.405 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.647 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.77 -48.35 79.91 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.541 -1.209 . . . . 3.1400000000000001 111.338 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -66.81 -49.66 65.08 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.803 -0.635 . . . . 5.2400000000000002 109.563 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.793 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 58.6 t80 -61.54 -27.53 68.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.036 -0.983 . . . . 3.8199999999999998 111.75 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.473 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.81 -26.95 29.14 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.693 0.759 . . . . 2.8700000000000001 109.608 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.67 34.05 9.55 Favored Glycine 0 N--CA 1.437 -1.281 0 CA-C-N 114.576 -1.193 . . . . 3.2799999999999998 110.768 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.707 HG11 HG23 ' A' ' 34' ' ' THR . 4.4 m -138.72 145.52 27.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.379 -0.91 . . . . 3.3900000000000001 109.867 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 m -55.93 147.52 19.34 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.506 0.669 . . . . 4.3399999999999999 110.441 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.647 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 76.7 t80 -49.92 -50.54 45.94 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.717 -1.129 . . . . 3.71 111.736 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.76 -25.3 64.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.215 -0.902 . . . . 5.5 111.832 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -68.7 -61.38 1.84 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.431 -0.35 . . . . 3.6499999999999999 110.573 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.647 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -68.89 -29.47 43.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.166 -0.47 . . . . 2.8500000000000001 111.498 -179.386 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.492 ' HA ' HD13 ' A' ' 6' ' ' LEU . 48.3 t -59.22 -40.96 87.46 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.046 -0.724 . . . . 3.1899999999999999 109.046 177.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -30.4 67.45 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.379 -0.828 . . . . 4.4400000000000004 108.82 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.124 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.8 t -67.59 -51.03 55.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.807 -1.088 . . . . 2.9100000000000001 110.983 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.66 -21.55 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.179 -0.918 . . . . 2.7200000000000002 111.956 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -111.37 -11.51 14.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.316 0.858 . . . . 3.6800000000000002 113.316 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -161.21 -82.99 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.982 0.42 . . . . 6.0800000000000001 111.832 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.124 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 64.16 37.89 8.61 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.242 -0.89 . . . . 4.6299999999999999 111.077 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -5.3 47.86 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.555 -0.748 . . . . 5.0899999999999999 110.751 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.16 101.65 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.029 -1.1 . . . . 5.7999999999999998 108.029 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.668 HG23 ' OP2' ' C' ' 3' ' ' ' DA' . 7.7 p -174.8 162.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.794 -0.639 . . . . 4.2300000000000004 109.549 -177.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 30' ' ' VAL . 46.7 m -75.09 158.86 32.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.242 0.544 . . . . 3.6600000000000001 111.556 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -63.02 -62.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.213 -0.903 . . . . 3.2799999999999998 111.832 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -50.67 -32.75 20.12 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.573 0.545 . . . . 4.5899999999999999 112.394 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.707 HG23 HG11 ' A' ' 15' ' ' VAL . 9.5 m -64.12 -47.31 80.45 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 116.711 -0.222 . . . . 2.8599999999999999 111.318 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.516 ' O ' HG22 ' A' ' 38' ' ' VAL . 22.4 mtm180 -65.54 -37.84 87.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.377 0.608 . . . . 4.1600000000000001 109.433 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 29.2 mt-10 -68.37 -30.29 69.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.096 -0.956 . . . . 3.5499999999999998 110.324 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -76.08 -45.91 31.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 2.8399999999999999 110.171 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.945 HG21 HG11 ' A' ' 23' ' ' VAL . 3.1 m -62.71 -44.59 99.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 108.791 -0.818 . . . . 2.2599999999999998 108.791 178.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 1.5 mt-10 -62.26 -43.22 99.33 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.528 -0.76 . . . . 3.27 110.119 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.09 62.03 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.781 -0.822 . . . . 2.8599999999999999 108.781 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.793 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -53.06 -51.45 61.73 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.235 -0.893 . . . . 2.8900000000000001 112.779 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.0 ptp -64.53 -31.84 73.23 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.882 -0.327 . . . . 2.8799999999999999 110.41 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.54 -43.38 69.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.016 0.436 . . . . 3.6000000000000001 110.934 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.531 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 12.2 mm-40 -69.22 -44.01 72.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.802 -0.635 . . . . 4.0899999999999999 110.741 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.2 mt -80.94 0.53 34.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.535 -0.757 . . . . 3.71 110.814 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 8.1 t30 74.63 -47.56 0.63 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.402 0.681 . . . . 4.1799999999999997 110.605 -179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.631 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 5.6 t80 41.65 77.81 0.05 Allowed 'General case' 0 N--CA 1.466 0.356 0 O-C-N 124.027 0.829 . . . . 3.1000000000000001 111.76 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 48' ' ' ILE . 8.9 tp -48.92 107.76 0.83 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 115.116 -0.947 . . . . 3.7000000000000002 112.064 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -95.75 -174.59 0.29 Allowed 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 123.152 2.568 . . . . 3.6000000000000001 112.457 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -133.75 -118.64 0.19 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.039 -0.528 . . . . 5.1399999999999997 109.789 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.47 81.72 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.642 0.258 . . . . 9.0 110.745 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.66 -35.6 81.24 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 116.345 -0.388 . . . . 5.8700000000000001 110.607 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -172.68 -176.93 1.59 Allowed 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.956 -0.566 . . . . 7.9500000000000002 110.599 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.441 ' C ' ' H ' ' A' ' 56' ' ' LEU . 2.6 mm-40 -166.61 176.64 7.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.886 -0.783 . . . . 10.550000000000001 108.886 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 70.22 -10.15 0.68 Allowed 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.784 0.678 . . . . 13.16 111.021 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.441 ' H ' ' C ' ' A' ' 54' ' ' GLN . 37.5 tp -74.79 -62.29 1.59 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.027 -0.533 . . . . 12.140000000000001 111.241 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.67 -173.08 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 14.140000000000001 110.338 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.79 -147.4 18.05 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.351 -0.7 . . . . 16.039999999999999 111.351 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -78.76 -15.37 58.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.38 0.609 . . . . 17.800000000000001 110.094 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -139.82 172.89 12.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.282 -0.872 . . . . 19.609999999999999 109.088 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -25.7 62.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.09 0.471 . . . . 20.57 110.59 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.893 -0.594 . . . . 21.890000000000001 109.966 179.674 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.505 0.193 . . . . 10.35 110.56 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.538 ' HG2' ' HB2' ' B' ' 51' ' ' ARG . 43.4 mtmt 65.33 72.75 0.45 Allowed Pre-proline 0 N--CA 1.463 0.221 0 CA-C-N 115.84 -0.618 . . . . 8.3300000000000001 110.377 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.59 -58.73 0.06 OUTLIER 'Trans proline' 0 CA--C 1.514 -0.511 0 C-N-CA 123.427 2.752 . . . . 4.4900000000000002 112.798 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.658 HG13 ' HB2' ' B' ' 8' ' ' ASP . 39.8 t -130.6 144.97 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 CA-C-O 121.953 0.882 . . . . 3.1600000000000001 111.361 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -118.28 159.82 22.7 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 104.951 -2.24 . . . . 3.1699999999999999 104.951 175.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 1.029 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.5 mt -60.42 -20.58 60.23 Favored 'General case' 0 C--N 1.307 -1.256 0 C-N-CA 119.003 -1.079 . . . . 2.5600000000000001 109.78 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.635 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -64.17 -36.53 84.35 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.995 -1.002 . . . . 4.2800000000000002 110.127 177.456 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.658 ' HB2' HG13 ' B' ' 4' ' ' VAL . 9.7 m-20 -64.97 -44.69 88.53 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 114.738 -1.119 . . . . 3.77 109.447 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' B' ' 42' ' ' MET . 72.9 t -67.84 -41.83 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 CA-C-N 114.985 -1.007 . . . . 2.6800000000000002 108.9 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.539 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.48 -48.08 80.16 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.027 -1.442 . . . . 3.1299999999999999 111.665 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.15 -49.14 73.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.63 0.729 . . . . 5.21 109.218 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.765 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 43.2 t80 -60.82 -28.82 69.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.558 -1.201 . . . . 3.6200000000000001 111.589 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.38 -25.14 27.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.622 0.725 . . . . 2.9399999999999999 109.337 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.36 31.46 13.79 Favored Glycine 0 CA--C 1.501 -0.798 0 CA-C-N 114.366 -1.288 . . . . 3.6600000000000001 111.809 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.614 ' HB ' HG21 ' B' ' 19' ' ' THR . 6.6 m -139.85 151.8 22.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.784 -0.708 . . . . 3.5299999999999998 111.578 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 27.2 p -53.21 160.98 0.97 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.399 0.545 . . . . 4.3799999999999999 110.063 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.675 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 69.8 t80 -52.1 -59.44 4.37 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.074 -0.966 . . . . 3.6200000000000001 109.689 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.799 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -73.09 13.06 0.45 Allowed 'General case' 0 C--O 1.245 0.858 0 CA-C-N 114.824 -1.08 . . . . 5.04 113.369 178.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.614 HG21 ' HB ' ' B' ' 15' ' ' VAL . 55.2 m -79.07 -61.6 1.96 Allowed 'General case' 0 N--CA 1.398 -3.047 0 N-CA-C 100.695 -3.817 . . . . 3.7799999999999998 100.695 170.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -77.05 -33.14 20.09 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 CA-C-N 112.019 -2.355 . . . . 2.9300000000000002 113.08 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.799 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 66.1 m -63.13 -35.32 79.88 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 120.693 -1.254 . . . . 3.23 109.175 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.53 -31.74 72.65 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.852 -1.166 . . . . 5.4000000000000004 107.852 177.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.99 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 65.9 t -66.11 -51.63 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 114.013 -1.449 . . . . 3.1800000000000002 109.135 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.6 t -66.39 -21.49 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.712 -1.131 . . . . 3.1200000000000001 112.219 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.518 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 0.7 OUTLIER -87.41 -12.33 46.54 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.009 -0.677 . . . . 4.0700000000000003 111.762 -177.792 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.518 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 11.0 pt20 151.44 -35.63 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.421 1.088 . . . . 6.0300000000000002 111.196 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.99 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 54.13 57.13 6.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.682 -0.69 . . . . 4.4800000000000004 112.262 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -17.77 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.159 0.504 . . . . 5.6900000000000004 110.936 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.702 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 25.9 m170 -136.69 90.49 2.55 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.829 -0.623 . . . . 6.5300000000000002 110.01 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.636 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 16.5 m -151.69 172.9 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 O-C-N 123.198 0.311 . . . . 4.4299999999999997 111.742 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -106.77 177.66 4.79 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.873 -0.603 . . . . 3.96 110.335 177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -69.21 -68.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.864 0.69 . . . . 3.3100000000000001 112.864 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -46.7 -39.06 10.8 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.527 0.517 . . . . 4.9000000000000004 112.229 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.725 ' O ' HG13 ' B' ' 38' ' ' VAL . 7.7 m -57.16 -53.43 58.22 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 111.903 0.334 . . . . 3.1299999999999999 111.903 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 25.3 mtm180 -60.68 -40.31 91.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.876 0.369 . . . . 3.9100000000000001 110.717 -178.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 30.3 mt-10 -67.05 -34.7 78.26 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.43 -0.805 . . . . 2.9399999999999999 111.331 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -77.21 -42.57 36.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.184 -0.462 . . . . 3.1000000000000001 111.072 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -68.73 -45.26 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.798 -0.445 . . . . 2.3300000000000001 109.798 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.554 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.7 OUTLIER -58.99 -39.44 81.81 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.315 -0.624 . . . . 3.0 109.315 177.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.64 -54.98 27.27 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.168 -0.678 . . . . 2.6499999999999999 109.168 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.765 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.95 -51.03 56.52 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.482 -0.781 . . . . 2.6800000000000002 112.853 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.492 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.6 ptp -64.54 -32.15 73.67 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 121.187 -0.205 . . . . 2.7400000000000002 110.673 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.63 -43.32 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 3.4300000000000002 110.911 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.424 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -68.21 -43.85 77.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.746 -0.661 . . . . 3.8100000000000001 110.792 -179.333 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.5 mt -80.76 0.48 34.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.532 -0.758 . . . . 3.4700000000000002 110.973 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 28.1 t-20 74.04 -51.07 0.69 Allowed 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.797 0.686 . . . . 4.3899999999999997 109.855 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 1.029 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 4.5 t80 51.08 85.07 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.177 -0.92 . . . . 2.9700000000000002 112.167 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' B' ' 48' ' ' ILE . 3.3 tp -86.83 130.09 49.93 Favored Pre-proline 0 N--CA 1.446 -0.642 0 CA-C-N 115.494 -0.776 . . . . 3.9700000000000002 109.858 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -80.59 55.22 5.58 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.627 2.218 . . . . 3.6600000000000001 112.525 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -160.98 105.16 1.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.233 0.54 . . . . 5.1100000000000003 110.423 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.538 ' HB2' ' HG2' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -130.99 93.34 3.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.416 -0.811 . . . . 8.3200000000000003 109.294 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 5.1 t -110.87 -126.28 0.27 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.066 -0.97 . . . . 6.1200000000000001 110.015 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.31 179.86 7.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.854 -0.157 . . . . 7.4400000000000004 110.83 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -146.59 -59.99 0.3 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.829 0.347 . . . . 10.52 110.711 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -139.44 53.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.005 0.431 . . . . 12.48 110.158 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.536 ' HG ' ' H ' ' B' ' 57' ' ' ALA . 9.4 tp 63.23 -154.03 0.33 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.347 -0.842 . . . . 11.92 110.635 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.536 ' H ' ' HG ' ' B' ' 56' ' ' LEU . . . -164.1 176.25 9.47 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.079 -0.341 . . . . 12.460000000000001 110.079 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLY . . . . . 0.614 ' HA3' ' OP1' ' D' ' 14' ' ' ' DT' . . . 90.55 -67.73 2.46 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.895 -0.669 . . . . 14.220000000000001 112.447 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -80.45 52.06 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.505 0.669 . . . . 16.629999999999999 110.226 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.43 ' HG2' ' H ' ' B' ' 60' ' ' GLN . 1.3 pt20 -95.61 -4.06 45.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.495 -0.775 . . . . 18.329999999999998 110.918 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 25.3 t -156.41 33.29 0.32 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.107 -0.497 . . . . 19.620000000000001 109.953 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 29.1 mt . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.663 -0.684 . . . . 21.170000000000002 110.441 -179.273 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.646 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O4'-C1'-N19 108.829 1.286 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-N19 109.371 1.964 . . . . 6.3700000000000001 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.668 ' OP2' HG23 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-N19 109.147 1.684 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-N19 109.141 1.676 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O3'-P-O5' 101.371 -1.384 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-N19 109.321 1.902 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.016 0 O4'-C1'-N19 109.469 2.086 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O3'-P-O5' 100.873 -1.646 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.426 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O3'-P-O5' 100.634 -1.771 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.444 ' C8 ' ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O3'-P-O5' 101.756 -1.181 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.444 ' H72' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 O4'-C1'-N19 109.898 2.622 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.447 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O3'-P-O5' 99.378 -2.432 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.447 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.42 -0.853 0 O3'-P-O5' 99.99 -2.111 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.42 ' H72' " C2'" ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.42 -1.228 0 O3'-P-O5' 100.623 -1.777 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.102 0 O3'-P-O5' 100.431 -1.878 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O4'-C1'-N19 109.367 1.959 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-N19 108.899 1.374 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 N19-C1'-C2' 115.808 1.005 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.68 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.606 0 O4'-C1'-N19 108.562 0.953 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.702 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-N19 109.44 2.049 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.636 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O4'-C1'-N19 110.047 2.809 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.489 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.522 -0.632 0 O3'-P-O5' 99.461 -2.389 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 O4'-C1'-N19 108.928 1.41 . . . . 7.4699999999999998 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C1'-N19 109.363 1.953 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 109.344 1.93 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.404 2.005 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O3'-P-O5' 100.484 -1.851 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-N19 109.122 1.652 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.42 -0.856 0 O4'-C1'-N19 109.843 2.554 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.09 0 O4'-C1'-N19 109.395 1.993 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O3'-P-O5' 100.219 -1.99 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.614 ' OP1' ' HA3' ' B' ' 58' ' ' GLY . . . . . . . . 0 O5'--C5' 1.424 -1.011 0 O3'-P-O5' 100.45 -1.868 . . . . 7.2400000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.208 1.76 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-N19 109.256 1.82 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O3'-P-O5' 101.597 -1.265 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C1'-C2' 107.097 0.907 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.499 ' HB3' ' H ' ' A' ' 2' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 110.218 -0.29 . . . . 8.1099999999999994 110.218 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.598 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 80.8 mttt -57.83 -49.95 90.82 Favored Pre-proline 0 CA--C 1.543 0.708 0 N-CA-C 112.023 0.379 . . . . 7.29 112.023 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.598 ' HD3' ' HB2' ' A' ' 2' ' ' LYS . 52.3 Cg_exo -60.32 136.21 66.73 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 122.123 1.882 . . . . 4.3700000000000001 112.991 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.686 HG13 ' HB2' ' A' ' 8' ' ' ASP . 54.3 t -136.53 150.15 27.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.08 -0.963 . . . . 3.4500000000000002 109.846 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 p -104.79 160.37 15.05 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.402 -1.332 . . . . 3.5499999999999998 107.402 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.718 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 3.3 mt -59.92 -25.64 65.31 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.185 -1.006 . . . . 2.8500000000000001 111.165 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -65.52 -37.46 86.84 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.99 0.9 . . . . 4.3899999999999997 110.158 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.686 ' HB2' HG13 ' A' ' 4' ' ' VAL . 36.5 m-20 -65.2 -45.16 85.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.805 -1.543 . . . . 4.1299999999999999 110.456 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 41' ' ' ALA . 91.7 t -68.78 -41.61 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 N-CA-C 109.112 -0.699 . . . . 2.9100000000000001 109.112 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.639 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.49 -46.99 83.09 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.356 -1.293 . . . . 3.1400000000000001 111.63 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -67.71 -48.97 65.01 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.887 -0.597 . . . . 5.2400000000000002 109.729 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.752 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.8 t80 -61.22 -30.07 70.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.109 -0.951 . . . . 3.8199999999999998 111.899 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.502 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -82.13 -27.42 32.79 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.757 0.789 . . . . 2.8700000000000001 109.781 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.55 34.52 9.25 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 114.611 -1.177 . . . . 3.2799999999999998 110.707 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.794 HG11 HG23 ' A' ' 34' ' ' THR . 4.7 m -138.65 147.22 25.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 114.314 -0.943 . . . . 3.3900000000000001 110.39 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.5 m -56.16 150.06 14.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.676 0.75 . . . . 4.3399999999999999 110.801 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.655 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 73.6 t80 -51.74 -50.62 60.25 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.643 -1.162 . . . . 3.71 112.657 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.493 HE22 " H2'" ' C' ' 4' ' ' ' DT' . 0.0 OUTLIER -63.69 -20.48 65.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.962 -0.563 . . . . 5.5 111.65 -178.735 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.0 m -69.07 -62.04 1.54 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.854 0.359 . . . . 3.6499999999999999 110.361 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.639 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.17 -29.05 41.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 2.8500000000000001 111.289 -179.381 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 t -59.38 -43.97 92.83 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.835 -0.802 . . . . 3.1899999999999999 108.835 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -69.19 -27.53 65.59 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.463 -0.789 . . . . 4.4400000000000004 109.057 179.038 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.065 HG11 HG21 ' A' ' 38' ' ' VAL . 55.5 t -65.92 -48.79 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 114.981 -1.009 . . . . 2.9100000000000001 109.656 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t -64.04 -21.5 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.494 0.664 . . . . 2.7200000000000002 110.173 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -95.02 0.19 54.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.843 -0.617 . . . . 3.6800000000000002 110.404 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 80.23 -54.74 0.36 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.549 1.139 . . . . 6.0800000000000001 110.031 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.25 -115.68 0.7 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.704 -0.68 . . . . 4.6299999999999999 112.624 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.4 t 179.93 -20.35 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.148 0.425 . . . . 5.0899999999999999 112.148 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.559 ' HA ' ' OP2' ' C' ' 2' ' ' ' DG' . 1.6 m-70 -124.95 92.36 3.63 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.569 -0.707 . . . . 5.7999999999999998 110.886 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.601 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -144.52 135.02 20.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.647 -0.706 . . . . 4.2300000000000004 111.488 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 m -72.19 169.47 16.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.299 -0.41 . . . . 3.6600000000000001 111.533 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.588 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.1 -68.47 0.42 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.488 -0.778 . . . . 3.2799999999999998 111.174 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HA ' ' OE2' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -46.56 -49.83 18.2 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.76 0.662 . . . . 4.5899999999999999 111.954 -179.405 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.794 HG23 HG11 ' A' ' 15' ' ' VAL . 8.5 m -53.96 -46.03 71.51 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.359 -0.837 . . . . 2.8599999999999999 112.202 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 18.9 mtm180 -63.65 -37.38 87.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.27 -0.641 . . . . 4.1600000000000001 109.27 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 22.4 mt-10 -67.79 -36.17 79.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.214 -0.903 . . . . 3.5499999999999998 109.915 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -71.06 -46.27 62.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.746 -0.661 . . . . 2.8399999999999999 110.977 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.065 HG21 HG11 ' A' ' 23' ' ' VAL . 3.7 m -65.42 -47.03 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.783 -0.451 . . . . 2.2599999999999998 109.783 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.43 -39.85 94.68 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.313 -0.625 . . . . 3.27 109.313 178.645 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.2 -57.49 12.24 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 108.132 -1.062 . . . . 2.8599999999999999 108.132 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.752 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.37 -51.2 47.97 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.783 -0.644 . . . . 2.8900000000000001 112.648 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.414 ' HG2' ' HA ' ' A' ' 39' ' ' GLU . 17.0 ptp -64.99 -32.42 74.13 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.59 -0.444 . . . . 2.8799999999999999 110.272 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.88 -45.64 60.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.986 0.422 . . . . 3.6000000000000001 111.015 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -42.86 84.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.814 -0.63 . . . . 4.0899999999999999 110.186 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.7 mt -81.31 -0.14 39.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 3.71 110.58 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.3 t30 75.04 -52.47 0.67 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.541 0.737 . . . . 4.1799999999999997 110.692 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.718 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 4.9 t80 45.14 69.99 0.39 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.694 0.759 . . . . 3.1000000000000001 111.601 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.026 HG23 ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -86.09 -47.73 0.56 Allowed Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 115.442 -0.799 . . . . 3.7000000000000002 112.858 -178.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.026 ' HD3' HG23 ' A' ' 48' ' ' ILE . 83.8 Cg_endo -102.6 124.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.379 2.053 . . . . 3.6000000000000001 113.898 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -80.62 -23.66 39.6 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.799 -0.815 . . . . 5.1399999999999997 108.799 177.867 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.8 ttp180 170.83 -43.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.201 -1.363 . . . . 9.0 107.935 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.1 t -175.69 -113.25 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.906 -1.043 . . . . 5.8700000000000001 109.267 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 56' ' ' LEU . . . -145.15 82.3 1.66 Allowed 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.303 0.573 . . . . 7.9500000000000002 111.123 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.44 ' HG2' ' HG2' ' A' ' 55' ' ' GLN . 8.4 pt20 -91.22 -15.34 29.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.506 -0.77 . . . . 10.550000000000001 110.784 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.44 ' HG2' ' HG2' ' A' ' 54' ' ' GLN . 5.3 pt20 -147.01 22.74 1.22 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.588 -0.733 . . . . 13.16 110.367 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.512 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 96.7 mt -107.44 106.66 17.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.94 -0.573 . . . . 12.140000000000001 110.389 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.42 171.46 7.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 14.140000000000001 110.858 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.16 25.58 36.63 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.988 -0.625 . . . . 16.039999999999999 112.352 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -127.9 124.26 36.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.876 0.37 . . . . 17.800000000000001 110.875 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -98.2 132.06 44.03 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.639 -0.504 . . . . 19.609999999999999 109.639 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.4 m -153.21 -65.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.95 0.405 . . . . 20.57 110.334 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 21.890000000000001 109.977 179.889 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.889 0.376 . . . . 10.35 110.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -158.05 93.54 2.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.966 -0.561 . . . . 8.3300000000000001 109.807 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -66.11 106.53 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.747 2.298 . . . . 4.4900000000000002 113.42 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.555 HG13 ' CB ' ' B' ' 8' ' ' ASP . 53.2 t -69.71 140.92 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 CA-C-N 115.331 -0.85 . . . . 3.1600000000000001 110.227 177.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.56 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.3 OUTLIER -88.69 146.89 24.79 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 106.914 -1.513 . . . . 3.1699999999999999 106.914 177.799 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.775 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.7 mt -59.84 -23.7 63.58 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 118.81 -1.156 . . . . 2.5600000000000001 109.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -36.4 83.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.578 -1.192 . . . . 4.2800000000000002 109.297 176.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' B' ' 5' ' ' THR . 0.7 OUTLIER -65.79 -44.1 86.72 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 113.787 -1.552 . . . . 3.77 109.715 -178.245 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' B' ' 42' ' ' MET . 84.8 t -68.75 -43.16 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 CA-C-N 115.351 -0.84 . . . . 2.6800000000000002 108.851 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.545 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.38 -46.88 82.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.23 -1.35 . . . . 3.1299999999999999 111.413 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.08 -49.63 66.91 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.845 -0.616 . . . . 5.21 109.582 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.841 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 43.9 t80 -60.26 -27.02 66.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.046 -0.979 . . . . 3.6200000000000001 111.263 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.77 -27.56 22.25 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.513 0.673 . . . . 2.9399999999999999 109.52 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.92 34.31 10.1 Favored Glycine 0 CA--C 1.496 -1.103 0 CA-C-N 114.878 -1.056 . . . . 3.6600000000000001 111.406 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.627 ' HB ' HG21 ' B' ' 19' ' ' THR . 7.0 m -139.67 149.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 114.455 -0.872 . . . . 3.5299999999999998 110.892 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' B' ' 19' ' ' THR . 2.7 m -48.47 161.73 0.12 Allowed 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.73 0.776 . . . . 4.3799999999999999 111.04 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.775 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 78.3 t80 -59.78 -65.13 0.73 Allowed 'General case' 0 C--O 1.251 1.146 0 CA-C-O 117.854 -1.07 . . . . 3.6200000000000001 109.787 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.989 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -64.02 10.54 0.05 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 119.589 -0.844 . . . . 5.04 111.549 171.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.824 HG23 HH21 ' B' ' 22' ' ' ARG . 28.6 m -73.22 -61.15 1.92 Allowed 'General case' 0 N--CA 1.39 -3.433 0 N-CA-C 101.768 -3.419 . . . . 3.7799999999999998 101.768 170.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.798 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.6 m -76.59 -32.82 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 113.88 -1.509 . . . . 2.9300000000000002 113.658 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.989 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 41.7 t -61.18 -38.13 85.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.019 0.437 . . . . 3.23 110.654 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.824 HH21 HG23 ' B' ' 19' ' ' THR . 0.0 OUTLIER -65.27 -31.59 72.81 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.213 -1.032 . . . . 5.4000000000000004 108.213 177.758 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.798 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 54.9 t -65.51 -51.59 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 CA-C-N 114.038 -1.437 . . . . 3.1800000000000002 108.155 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -68.58 -20.39 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 114.682 -1.144 . . . . 3.1200000000000001 112.573 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 5.2 m-80 -102.95 16.12 27.5 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.021 -0.424 . . . . 4.0700000000000003 112.052 -176.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.506 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 15.8 mm100 88.99 81.66 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.68 0 O-C-N 124.398 1.061 . . . . 6.0300000000000002 108.401 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.798 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -76.69 -74.89 0.22 Allowed 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.301 -1.318 . . . . 4.4800000000000004 112.079 -177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 38.9 m 65.65 -9.15 0.26 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.198 0.599 . . . . 5.6900000000000004 111.392 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.503 ' H ' ' C ' ' B' ' 27' ' ' ALA . 29.9 m170 -134.55 91.27 2.76 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 108.226 -1.027 . . . . 6.5300000000000002 108.226 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.612 ' HA ' " H3'" ' D' ' 2' ' ' ' DG' . 14.8 p -175.67 165.61 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 4.4299999999999997 110.455 -177.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.46 ' N ' HG22 ' B' ' 30' ' ' VAL . 0.3 OUTLIER -81.12 171.77 14.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.224 0.535 . . . . 3.96 112.001 -179.187 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.88 -67.52 0.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.199 -0.91 . . . . 3.3100000000000001 113.264 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.472 ' HB2' ' HE3' ' B' ' 33' ' ' LYS . 6.7 ptmt -51.29 -29.18 14.01 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.545 0.572 . . . . 4.9000000000000004 112.545 -178.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.738 ' O ' HG13 ' B' ' 38' ' ' VAL . 87.4 m -62.54 -49.73 74.17 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 120.704 -0.398 . . . . 3.1299999999999999 110.485 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.545 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 49.8 mtm-85 -65.57 -37.68 87.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 3.9100000000000001 110.206 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.52 -29.75 69.91 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.47 -0.786 . . . . 2.9399999999999999 110.741 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -82.33 -42.93 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.541 . . . . 3.1000000000000001 110.812 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.798 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.3 m -68.12 -45.09 83.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.769 -0.456 . . . . 2.3300000000000001 109.769 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.545 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 4.0 mt-10 -60.69 -42.07 96.42 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.273 -0.64 . . . . 3.0 109.273 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.727 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.78 -53.93 49.25 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.904 -0.776 . . . . 2.6499999999999999 108.904 177.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.841 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.41 -51.67 52.74 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.107 0.78 . . . . 2.6800000000000002 113.107 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.597 ' HB2' ' HB3' ' B' ' 47' ' ' TYR . 16.7 ptp -64.45 -33.14 75.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.729 0.299 . . . . 2.7400000000000002 110.516 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 -42.95 68.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.063 0.459 . . . . 3.4300000000000002 111.226 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.727 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.7 mm-40 -68.19 -44.08 76.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.806 -0.633 . . . . 3.8100000000000001 111.112 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 10.7 mt -79.28 -1.48 36.86 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.529 -0.76 . . . . 3.4700000000000002 110.991 -179.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 t30 58.05 45.47 17.79 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.884 0.849 . . . . 4.3899999999999997 109.986 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.707 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 20.1 t80 -63.09 124.15 20.42 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.48 -1.237 . . . . 2.9700000000000002 111.017 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.479 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 0.3 OUTLIER -63.11 156.13 69.75 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 114.996 -1.002 . . . . 3.9700000000000002 110.767 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' B' ' 48' ' ' ILE . 4.8 Cg_endo -47.94 -53.0 7.25 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.397 2.731 . . . . 3.6600000000000001 113.449 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 62.8 t30 51.26 66.8 1.08 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.531 0.681 . . . . 5.1100000000000003 110.918 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 51' ' ' ARG . 3.7 mmt85 -144.3 94.31 2.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.687 -0.688 . . . . 8.3200000000000003 110.204 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 3.8 m -117.79 -135.31 0.34 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 116.256 -0.429 . . . . 6.1200000000000001 109.911 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 179.16 -179.86 0.4 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.641 0.588 . . . . 7.4400000000000004 110.481 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.414 ' HG3' ' H ' ' B' ' 56' ' ' LEU . 6.6 pt20 -151.05 -164.58 2.04 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.997 -0.742 . . . . 10.52 108.997 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -97.24 22.74 8.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.195 0.521 . . . . 12.48 110.486 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.414 ' H ' ' HG3' ' B' ' 54' ' ' GLN . 34.1 mt -147.69 -170.88 3.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.518 -0.764 . . . . 11.92 109.49 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.14 -45.31 7.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.851 0.358 . . . . 12.460000000000001 110.791 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.66 -151.64 6.03 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.755 -0.736 . . . . 14.220000000000001 111.877 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.18 125.35 40.64 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.29 -0.263 . . . . 16.629999999999999 110.29 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -68.7 167.72 14.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.412 -0.358 . . . . 18.329999999999998 110.192 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.469 ' HB3' " H4'" ' D' ' 8' ' ' ' DA' . 3.8 m -137.53 38.38 2.45 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.745 -0.465 . . . . 19.620000000000001 109.745 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 16.5 tp . . . . . 0 C--O 1.251 1.149 0 CA-C-O 117.645 -1.169 . . . . 21.170000000000002 109.613 -179.161 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.755 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O4'-C1'-N19 108.802 1.253 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.559 ' OP2' ' HA ' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O4'-C1'-N19 109.265 1.832 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.415 ' OP2' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 P-O5'-C5' 118.55 -1.469 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.493 " H2'" HE22 ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-N19 109.166 1.708 . . . . 5.9699999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-N19 108.983 1.478 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-N19 109.506 2.132 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-N19 109.561 2.202 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.414 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.005 0 O4'-C1'-N19 109.189 1.737 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.421 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O3'-P-O5' 100.842 -1.662 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.421 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 108.941 1.426 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.524 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-N19 109.922 2.653 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O3'-P-O5' 99.739 -2.243 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O3'-P-O5' 99.891 -2.163 . . . . 6.0800000000000001 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.062 0 O3'-P-O5' 100.548 -1.817 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.094 0 O4'-C1'-N19 109.165 1.707 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O3'-P-O5' 100.647 -1.765 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O3'-P-O5' 101.432 -1.352 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 N19-C1'-C2' 115.861 1.038 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.508 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 O4'-C1'-N19 108.926 1.408 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.612 " H3'" ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 O4'-C1'-N19 109.45 2.063 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.52 " H2'" HH12 ' B' ' 22' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 O4'-C1'-N19 109.731 2.414 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.497 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.523 -0.491 0 O3'-P-O5' 99.17 -2.542 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . 0.438 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-N19 108.716 1.145 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O4'-C1'-N19 109.606 2.257 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-N19 109.514 2.142 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.469 " H4'" ' HB3' ' B' ' 61' ' ' SER . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-N19 109.302 1.877 . . . . 7.7699999999999996 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O3'-P-O5' 100.528 -1.827 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-N19 108.964 1.454 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 109.871 2.589 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-N19 109.463 2.079 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O3'-P-O5' 100.183 -2.009 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O3'-P-O5' 100.667 -1.754 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-N19 109.165 1.706 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C1'-N19 109.179 1.723 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O3'-P-O5' 101.597 -1.265 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 N19-C1'-C2' 115.784 0.99 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.537 ' H2 ' ' C ' ' B' ' 62' ' ' LEU . 4.3 mpp? . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.533 0.206 . . . . 8.1099999999999994 110.686 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 24.9 tptt -166.03 131.82 1.94 Allowed Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 110.016 -0.364 . . . . 7.29 110.016 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 20.2 Cg_exo -67.25 102.87 0.71 Allowed 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.846 2.364 . . . . 4.3700000000000001 113.009 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.741 HG13 ' HB2' ' A' ' 8' ' ' ASP . 73.3 t -68.72 143.24 15.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.907 -1.042 . . . . 3.4500000000000002 110.586 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.5 p -102.6 160.91 14.15 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.872 -1.529 . . . . 3.5499999999999998 106.872 177.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.836 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 3.6 mt -59.82 -24.52 64.24 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.464 -0.894 . . . . 2.8500000000000001 111.127 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.94 -37.39 87.48 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.973 0.892 . . . . 4.3899999999999997 110.173 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.741 ' HB2' HG13 ' A' ' 4' ' ' VAL . 26.2 m-20 -65.13 -46.04 82.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.792 -1.549 . . . . 4.1299999999999999 110.058 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 41' ' ' ALA . 93.0 t -69.15 -41.79 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-O 121.682 0.753 . . . . 2.9100000000000001 109.501 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.59 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.55 -46.69 83.6 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.536 -1.211 . . . . 3.1400000000000001 111.622 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.45 -49.36 63.99 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.392 0.615 . . . . 5.2400000000000002 109.812 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.837 ' HD2' ' HA ' ' A' ' 41' ' ' ALA . 48.1 t80 -61.4 -27.38 68.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.764 -1.107 . . . . 3.8199999999999998 111.739 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.07 -28.0 25.93 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.673 0.749 . . . . 2.8700000000000001 110.026 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.77 35.71 8.24 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 114.932 -1.031 . . . . 3.2799999999999998 110.808 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.57 HG11 HG23 ' A' ' 34' ' ' THR . 3.8 m -138.71 146.44 26.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.332 -0.934 . . . . 3.3900000000000001 109.674 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.8 p -57.0 145.32 30.8 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.888 -0.725 . . . . 4.3399999999999999 109.994 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.638 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 67.2 t80 -45.84 -50.5 14.18 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.13 -0.941 . . . . 3.71 111.978 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' NE2' ' N7 ' ' C' ' 5' ' ' ' DA' . 0.0 OUTLIER -61.85 -22.37 65.45 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.846 -1.07 . . . . 5.5 112.41 -179.111 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 23' ' ' VAL . 89.8 m -69.39 -61.24 1.87 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.977 0.418 . . . . 3.6499999999999999 110.109 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.59 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -68.98 -28.95 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.786 -0.643 . . . . 2.8500000000000001 111.192 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.546 ' HA ' HD13 ' A' ' 6' ' ' LEU . 33.2 t -59.59 -39.79 85.31 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.94 -0.763 . . . . 3.1899999999999999 108.94 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -31.44 68.69 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.687 -0.857 . . . . 4.4400000000000004 108.687 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.047 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 70.3 t -66.59 -49.58 73.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.685 -1.143 . . . . 2.9100000000000001 110.197 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -65.43 -21.85 29.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.096 -0.957 . . . . 2.7200000000000002 112.409 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 25.5 m-80 -110.18 -11.16 14.61 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.493 0.923 . . . . 3.6800000000000002 113.493 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 28.6 mm-40 -165.66 -75.44 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.873 0.368 . . . . 6.0800000000000001 111.861 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.047 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 61.98 41.45 11.21 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.229 -0.896 . . . . 4.6299999999999999 110.772 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -11.34 60.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.399 -0.819 . . . . 5.0899999999999999 111.614 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.6 101.38 1.83 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.619 -0.511 . . . . 5.7999999999999998 109.619 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.46 HG12 ' OP2' ' C' ' 3' ' ' ' DA' . 0.0 OUTLIER -156.7 156.62 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.02 -0.537 . . . . 4.2300000000000004 110.311 -179.307 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.492 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 46.1 m -70.52 166.61 20.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.955 0.407 . . . . 3.6600000000000001 111.175 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -64.86 -68.28 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.678 -0.692 . . . . 3.2799999999999998 112.076 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 37.4 pttt -53.4 -28.93 32.27 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.381 0.511 . . . . 4.5899999999999999 112.381 -178.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.687 ' O ' HG13 ' A' ' 38' ' ' VAL . 6.5 m -60.54 -48.59 81.08 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 121.065 -0.254 . . . . 2.8599999999999999 111.025 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -66.97 -34.38 77.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.299 -0.63 . . . . 4.1600000000000001 109.299 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 31.1 mt-10 -66.3 -34.56 78.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.643 -0.708 . . . . 3.5499999999999998 110.104 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 5.5 mtpp -77.03 -45.28 27.73 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.945 -0.57 . . . . 2.8399999999999999 110.627 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.979 HG21 HG11 ' A' ' 23' ' ' VAL . 3.8 m -63.15 -46.01 97.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.183 -0.673 . . . . 2.2599999999999998 109.183 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -62.11 -45.42 93.55 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.817 -0.629 . . . . 3.27 110.015 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.709 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -59.27 -54.41 47.16 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 108.734 -0.839 . . . . 2.8599999999999999 108.734 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.837 ' HA ' ' HD2' ' A' ' 12' ' ' TYR . . . -52.23 -51.77 56.33 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 112.995 0.739 . . . . 2.8900000000000001 112.995 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.8 ptp -65.3 -32.8 74.64 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.749 -0.38 . . . . 2.8799999999999999 110.329 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.62 -43.32 69.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 3.6000000000000001 111.398 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.709 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 3.9 mm-40 -69.13 -44.48 72.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.422 0.63 . . . . 4.0899999999999999 110.578 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.3 mt -81.13 1.07 33.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.472 -0.786 . . . . 3.71 110.918 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 24.9 t30 75.94 -57.51 0.57 Allowed 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.761 0.663 . . . . 4.1799999999999997 109.932 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.836 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 8.0 t80 52.84 100.74 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.983 0.802 . . . . 3.1000000000000001 112.527 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.614 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 2.7 pp -56.26 159.62 5.93 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.383 -0.826 . . . . 3.7000000000000002 111.984 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.614 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 41.1 Cg_endo -67.51 97.56 0.45 Allowed 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 123.008 2.472 . . . . 3.6000000000000001 113.183 -178.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -12.56 60.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.909 -0.587 . . . . 5.1399999999999997 110.107 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.521 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 61.3 ttp85 -160.37 -54.17 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.601 -0.727 . . . . 9.0 109.65 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.41 118.78 0.66 Allowed 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.488 -0.93 . . . . 5.8700000000000001 108.488 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' B' ' 55' ' ' GLN . . . -74.14 53.21 0.49 Allowed 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.949 -1.023 . . . . 7.9500000000000002 111.669 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -76.43 -35.87 58.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.634 -0.712 . . . . 10.550000000000001 110.015 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -77.74 -20.54 53.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.469 -0.787 . . . . 13.16 110.277 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.476 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 2.7 mm? -88.39 -64.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.743 -0.662 . . . . 12.140000000000001 110.52 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 55.68 -95.42 0.05 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.501 -0.772 . . . . 14.140000000000001 111.912 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.4 44.48 0.5 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.237 -0.745 . . . . 16.039999999999999 111.237 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -72.24 -21.77 61.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.701 0.286 . . . . 17.800000000000001 111.469 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -85.65 -61.83 1.67 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.197 0.523 . . . . 19.609999999999999 109.924 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.7 m -156.79 171.98 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.636 -0.711 . . . . 20.57 109.187 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 110.142 -0.318 . . . . 21.890000000000001 110.142 179.356 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 C--O 1.233 0.207 0 N-CA-C 109.833 -0.432 . . . . 10.35 109.833 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt 67.97 109.55 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.313 0 CA-C-N 114.782 -1.099 . . . . 8.3300000000000001 111.406 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.11 138.92 71.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.674 2.25 . . . . 4.4900000000000002 111.807 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.693 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 59.8 t -71.79 142.89 14.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 122.279 1.038 . . . . 3.1600000000000001 112.243 -178.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.2 p -108.57 158.98 17.08 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 105.995 -1.854 . . . . 3.1699999999999999 105.995 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.816 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 0.8 OUTLIER -61.07 -21.0 63.24 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 118.951 -1.099 . . . . 2.5600000000000001 108.77 177.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -41.38 99.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 113.555 -1.657 . . . . 4.2800000000000002 110.297 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.657 ' HB2' HG13 ' B' ' 4' ' ' VAL . 22.6 m-20 -65.91 -42.94 89.56 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 114.042 -1.435 . . . . 3.77 110.106 -178.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' B' ' 42' ' ' MET . 74.6 t -67.62 -41.25 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 115.085 -0.961 . . . . 2.6800000000000002 109.33 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.437 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -61.25 -47.51 85.72 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.29 -1.323 . . . . 3.1299999999999999 111.049 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.21 -49.44 74.21 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.513 -0.767 . . . . 5.21 109.332 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.789 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 51.2 t80 -61.68 -28.91 69.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.934 -1.03 . . . . 3.6200000000000001 111.384 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.53 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -83.05 -25.86 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.582 0.706 . . . . 2.9399999999999999 109.444 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.51 32.17 14.22 Favored Glycine 0 CA--C 1.503 -0.711 0 CA-C-N 114.565 -1.198 . . . . 3.6600000000000001 111.164 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.819 ' HB ' HG21 ' B' ' 19' ' ' THR . 15.9 m -140.29 151.91 21.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 114.572 -0.814 . . . . 3.5299999999999998 111.331 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.2 m -49.76 158.62 0.46 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.957 0.884 . . . . 4.3799999999999999 110.719 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.816 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 65.6 t80 -56.18 -58.21 8.92 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 114.971 -1.013 . . . . 3.6200000000000001 109.856 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.861 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.16 7.06 2.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.803 -1.089 . . . . 5.04 112.718 179.418 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.819 HG21 ' HB ' ' B' ' 15' ' ' VAL . 37.9 m -72.2 -56.92 4.73 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 101.138 -3.653 . . . . 3.7799999999999998 101.138 173.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.773 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -76.95 -29.73 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 CA-C-N 112.711 -2.041 . . . . 2.9300000000000002 113.063 176.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.861 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 30.9 m -59.88 -30.97 69.36 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.615 -0.678 . . . . 3.23 109.306 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -64.62 -40.28 95.21 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 106.766 -1.568 . . . . 5.4000000000000004 106.766 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.709 HG11 HG21 ' B' ' 38' ' ' VAL . 51.3 t -65.58 -51.08 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 113.399 -1.728 . . . . 3.1800000000000002 110.494 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.58 HG21 HD21 ' B' ' 6' ' ' LEU . 25.3 t -66.25 -21.36 28.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.351 -0.841 . . . . 3.1200000000000001 112.014 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.47 ' C ' ' H ' ' B' ' 27' ' ' ALA . 3.6 m-80 -101.78 3.96 39.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 120.177 -0.609 . . . . 4.0700000000000003 109.375 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 79.71 -39.65 0.2 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.746 -1.115 . . . . 6.0300000000000002 108.593 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' B' ' 25' ' ' ASN . . . 56.33 -161.64 0.19 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.128 -1.396 . . . . 4.4800000000000004 112.487 177.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -148.72 4.52 0.67 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.741 -0.663 . . . . 5.6900000000000004 110.684 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.54 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 7.0 m170 -153.56 93.84 1.73 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.468 -0.568 . . . . 6.5300000000000002 109.468 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.641 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 13.5 m -147.39 178.33 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.538 0.209 . . . . 4.4299999999999997 111.451 -178.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -115.72 173.23 6.65 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.201 -0.454 . . . . 3.96 111.371 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.58 -68.92 0.42 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.59 0.959 . . . . 3.3100000000000001 113.59 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' B' ' 36' ' ' GLU . 0.4 OUTLIER -53.46 -28.62 31.39 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.713 0.635 . . . . 4.9000000000000004 112.713 -178.015 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.739 ' O ' HG13 ' B' ' 38' ' ' VAL . 30.4 m -58.48 -43.94 89.16 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 120.676 -0.41 . . . . 3.1299999999999999 110.816 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 22.0 mtt180 -63.73 -44.41 93.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.002 -0.545 . . . . 3.9100000000000001 111.685 -177.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -68.97 -32.71 72.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.548 0.213 . . . . 2.9399999999999999 111.573 -178.513 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -70.44 -47.38 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.999 0.428 . . . . 3.1000000000000001 110.26 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.773 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -69.15 -42.83 81.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.763 -0.653 . . . . 2.3300000000000001 110.02 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.9 OUTLIER -59.63 -40.36 87.33 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.266 -0.642 . . . . 3.0 109.266 177.697 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.56 -51.75 67.26 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.891 -0.781 . . . . 2.6499999999999999 108.891 177.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.789 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -54.2 -51.71 63.55 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.392 -0.822 . . . . 2.6800000000000002 112.963 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.465 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.5 ptp -63.92 -31.57 72.8 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.115 -0.234 . . . . 2.7400000000000002 110.5 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.05 -43.56 67.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.923 0.392 . . . . 3.4300000000000002 111.248 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.499 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 4.5 mm-40 -68.28 -44.54 75.3 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.371 0.605 . . . . 3.8100000000000001 110.833 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt -80.98 -0.32 38.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.413 -0.812 . . . . 3.4700000000000002 110.781 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 40.4 t30 72.68 -48.55 0.69 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.403 0.681 . . . . 4.3899999999999997 110.352 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.73 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 1.5 t80 59.86 89.41 0.07 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.656 0.741 . . . . 2.9700000000000002 111.872 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' B' ' 49' ' ' PRO . 1.0 OUTLIER -123.04 116.24 28.81 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 115.262 -0.881 . . . . 3.9700000000000002 109.86 179.293 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 48' ' ' ILE . 61.0 Cg_endo -100.65 97.14 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.457 2.772 . . . . 3.6600000000000001 112.767 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -173.53 118.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.117 0.484 . . . . 5.1100000000000003 110.098 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -91.69 12.14 22.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.592 -0.731 . . . . 8.3200000000000003 111.697 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 51' ' ' ARG . 50.0 t -168.44 -92.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.51 -0.076 . . . . 6.1200000000000001 111.095 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.26 -78.36 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 121.014 -0.275 . . . . 7.4400000000000004 111.546 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.499 ' HB3' ' H ' ' B' ' 55' ' ' GLN . 25.2 tt0 -167.25 -99.54 0.01 OUTLIER 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.986 0.422 . . . . 10.52 110.682 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.597 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 7.3 pt20 -146.42 18.95 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.359 -0.382 . . . . 12.48 110.704 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 56' ' ' LEU . 3.2 mm? 57.38 -99.3 0.1 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.64 -0.709 . . . . 11.92 112.073 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -120.62 28.12 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.975 0.417 . . . . 12.460000000000001 111.139 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.86 172.93 35.99 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.778 -0.725 . . . . 14.220000000000001 112.102 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -134.31 93.72 3.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.557 -0.534 . . . . 16.629999999999999 109.557 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -104.07 -176.58 3.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.218 0.532 . . . . 18.329999999999998 111.603 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.3 m -153.43 -162.96 1.56 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.549 -0.75 . . . . 19.620000000000001 109.534 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.537 ' C ' ' H2 ' ' A' ' 1' ' ' MET . 63.5 mt . . . . . 0 C--O 1.251 1.182 0 CA-C-O 119.046 -0.502 . . . . 21.170000000000002 110.127 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.655 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 O4'-C1'-N19 108.528 0.91 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.404 " H3'" ' N ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O4'-C1'-N19 109.379 1.974 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.46 ' OP2' HG12 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C1'-N19 109.115 1.644 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O3'-P-O5' 100.192 -2.004 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . 0.436 ' N7 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-N19 108.823 1.279 . . . . 7.2699999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-N19 109.507 2.134 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-N19 109.58 2.225 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.408 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-N19 109.196 1.745 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.408 ' H72' " C2'" ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 O3'-P-O5' 100.71 -1.732 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.423 " C2'" ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-N19 108.823 1.279 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.465 " H3'" ' OH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-N19 110.076 2.845 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-N19 109.555 2.193 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.445 ' C6 ' ' H72' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O3'-P-O5' 100.307 -1.944 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.445 ' H72' ' C6 ' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-N19 109.233 1.791 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.033 0 O4'-C1'-N19 109.208 1.761 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-N19 109.372 1.965 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 O3'-P-O5' 101.58 -1.274 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 N19-C1'-C2' 115.755 0.972 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.431 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.477 0 O5'-C5'-C4' 111.365 0.832 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.54 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.422 -1.112 0 O4'-C1'-N19 109.658 2.323 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.641 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 O4'-C1'-N19 109.456 2.07 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.472 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.522 -0.639 0 O3'-P-O5' 99.943 -2.135 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . 0.423 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-N19 108.966 1.458 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O4'-C1'-N19 109.499 2.123 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C1'-N19 109.381 1.976 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C1'-N19 109.304 1.88 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O3'-P-O5' 100.542 -1.82 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C1'-N19 108.938 1.422 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . 0.412 " H2'" ' OH ' ' A' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-N19 109.806 2.508 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 O4'-C1'-N19 109.537 2.171 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.42 -0.876 0 O3'-P-O5' 99.76 -2.232 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O3'-P-O5' 100.775 -1.697 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O4'-C1'-N19 109.256 1.82 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 109.225 1.782 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O3'-P-O5' 101.452 -1.341 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 N19-C1'-C2' 115.729 0.956 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mmm . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.666 -0.494 . . . . 8.1099999999999994 109.666 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 1.9 tppp? -167.03 120.37 0.8 Allowed Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 122.984 0.177 . . . . 7.29 110.802 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 13.8 Cg_exo -70.22 -179.9 3.46 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.975 2.45 . . . . 4.3700000000000001 112.038 179.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.724 HG13 ' HB2' ' A' ' 8' ' ' ASP . 43.4 t -108.61 143.4 19.0 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 CA-C-O 122.19 0.995 . . . . 3.4500000000000002 111.716 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.6 p -118.05 163.88 15.94 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 105.94 -1.874 . . . . 3.5499999999999998 105.94 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.741 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 1.7 mt -59.34 -23.05 62.17 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 119.226 -0.989 . . . . 2.8500000000000001 110.833 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -65.18 -37.65 88.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.336 -0.847 . . . . 4.3899999999999997 110.596 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.724 ' HB2' HG13 ' A' ' 4' ' ' VAL . 18.9 m-20 -65.36 -45.43 84.17 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.712 -1.131 . . . . 4.1299999999999999 110.132 -178.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.453 HG13 ' HB3' ' A' ' 41' ' ' ALA . 86.2 t -67.87 -40.86 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.412 -0.813 . . . . 2.9100000000000001 109.025 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.597 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.82 -47.54 82.33 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.454 -1.248 . . . . 3.1400000000000001 111.164 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -50.17 65.46 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.719 -0.673 . . . . 5.2400000000000002 109.806 -179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.822 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.2 t80 -61.99 -27.99 69.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.007 -0.997 . . . . 3.8199999999999998 111.653 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.488 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.1 -27.21 30.35 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.556 0.693 . . . . 2.8700000000000001 109.189 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.04 33.39 9.68 Favored Glycine 0 N--CA 1.44 -1.092 0 CA-C-N 114.684 -1.144 . . . . 3.2799999999999998 111.125 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.73 HG11 HG23 ' A' ' 34' ' ' THR . 6.6 m -139.08 145.93 26.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.414 -0.893 . . . . 3.3900000000000001 110.461 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.5 m -57.39 154.54 10.61 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 122.033 0.921 . . . . 4.3399999999999999 110.704 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.691 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 88.5 t80 -53.35 -51.45 62.41 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 114.099 -1.41 . . . . 3.71 112.898 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.586 HE22 " H2'" ' C' ' 4' ' ' ' DT' . 0.0 OUTLIER -64.25 -20.03 65.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.856 -0.611 . . . . 5.5 111.303 -178.492 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 23' ' ' VAL . 9.3 m -68.55 -62.42 1.4 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.9 -0.407 . . . . 3.6499999999999999 109.9 177.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -69.46 -29.41 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 2.8500000000000001 112.149 -179.073 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -57.85 -44.37 86.48 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.671 -0.492 . . . . 3.1899999999999999 109.671 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.482 HH11 HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -70.63 -27.79 64.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.055 -0.72 . . . . 4.4400000000000004 109.055 179.407 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.094 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.3 t -67.49 -50.18 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-N 114.65 -1.159 . . . . 2.9100000000000001 110.965 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.418 HG12 ' ND2' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -63.71 -17.85 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.491 -0.777 . . . . 2.7200000000000002 111.208 -179.578 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 13.8 m-80 -103.31 -11.17 18.12 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.958 0.725 . . . . 3.6800000000000002 112.958 -178.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 3.8 mt-30 176.87 -63.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.788 0.435 . . . . 6.0800000000000001 111.965 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.094 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 63.73 46.24 4.14 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.599 -0.728 . . . . 4.6299999999999999 111.349 -178.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.2 2.66 23.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 5.0899999999999999 111.455 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.56 85.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.733 0.301 . . . . 5.7999999999999998 110.362 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.482 HG13 HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -162.14 164.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.718 -0.845 . . . . 4.2300000000000004 108.718 179.774 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.45 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 68.4 m -73.12 156.51 38.59 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.584 -0.447 . . . . 3.6600000000000001 110.425 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.13 -60.51 3.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 3.2799999999999998 111.386 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -54.72 -34.71 62.82 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.184 -0.462 . . . . 4.5899999999999999 112.029 -179.653 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.743 ' O ' HG13 ' A' ' 38' ' ' VAL . 12.1 m -55.69 -49.49 72.83 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 121.181 -0.207 . . . . 2.8599999999999999 111.498 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 35' ' ' ARG . 31.2 mtm180 -63.28 -35.29 79.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.342 0.591 . . . . 4.1600000000000001 109.889 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 57.1 mt-10 -67.43 -40.41 85.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.157 -0.928 . . . . 3.5499999999999998 111.605 -178.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -77.77 -37.78 48.21 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 120.522 -0.471 . . . . 2.8399999999999999 111.492 -178.584 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.006 HG21 HG11 ' A' ' 23' ' ' VAL . 3.5 m -62.7 -46.24 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 108.529 -0.915 . . . . 2.2599999999999998 108.529 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 5.4 mt-10 -61.41 -42.38 98.64 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.517 -0.765 . . . . 3.27 109.616 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.741 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -61.34 -54.81 39.07 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.107 -0.701 . . . . 2.8599999999999999 109.107 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.822 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.07 -51.4 53.62 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 113.327 0.862 . . . . 2.8900000000000001 113.327 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.439 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.8 ptp -64.22 -32.68 74.35 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.855 -0.338 . . . . 2.8799999999999999 110.352 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.42 -44.24 65.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.383 . . . . 3.6000000000000001 111.132 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.741 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 3.9 mm-40 -69.14 -44.65 71.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.878 -0.601 . . . . 4.0899999999999999 111.102 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.4 mt -80.76 -0.35 38.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.781 -0.645 . . . . 3.71 110.896 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 5.2 t-20 74.38 -42.2 0.5 Allowed 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.81 0.694 . . . . 4.1799999999999997 110.119 -179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.741 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.2 t80 61.77 79.29 0.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.065 -0.97 . . . . 3.1000000000000001 112.24 178.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.05 106.2 53.49 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 106.984 -1.487 . . . . 3.7000000000000002 106.984 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.48 -64.24 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.507 2.805 . . . . 3.6000000000000001 114.195 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.7 t30 58.02 44.76 18.99 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.673 0.749 . . . . 5.1399999999999997 109.877 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -28.6 69.87 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.674 -0.694 . . . . 9.0 110.297 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 p -92.08 -105.19 0.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.801 -0.636 . . . . 5.8700000000000001 110.213 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -164.99 74.84 0.24 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.343 0.592 . . . . 7.9500000000000002 109.861 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -83.24 -19.93 35.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.478 -0.783 . . . . 10.550000000000001 111.09 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -171.57 -38.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 13.16 110.606 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.6 mm? -115.05 143.55 45.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 12.140000000000001 110.108 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.3 -55.07 4.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.825 0.345 . . . . 14.140000000000001 110.286 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.41 146.96 48.22 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.839 -0.619 . . . . 16.039999999999999 112.832 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -131.36 178.19 6.91 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.404 -0.591 . . . . 17.800000000000001 109.404 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -66.72 102.18 0.9 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.105 0.478 . . . . 19.609999999999999 110.553 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.06 59.77 5.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.146 -0.479 . . . . 20.57 110.387 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 N--CA 1.464 0.242 0 CA-C-N 115.55 -0.75 . . . . 21.890000000000001 111.105 -179.779 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.728 0.299 . . . . 10.35 110.941 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.46 127.25 18.66 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 121.024 0.44 . . . . 8.3300000000000001 111.499 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.46 -92.85 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.616 2.211 . . . . 4.4900000000000002 110.875 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.545 HG13 ' HB2' ' B' ' 8' ' ' ASP . 46.5 t -124.24 138.16 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 CA-C-O 122.242 1.02 . . . . 3.1600000000000001 111.062 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.668 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.1 OUTLIER -108.91 153.87 22.94 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 105.335 -2.098 . . . . 3.1699999999999999 105.335 176.709 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.764 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.4 mt -60.14 -21.0 61.08 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 118.887 -1.125 . . . . 2.5600000000000001 111.001 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -35.02 79.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.298 -0.864 . . . . 4.2800000000000002 109.447 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.545 ' HB2' HG13 ' B' ' 4' ' ' VAL . 23.8 m-20 -65.67 -44.8 85.16 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 114.061 -1.427 . . . . 3.77 109.878 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' B' ' 42' ' ' MET . 74.5 t -67.39 -42.6 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.157 -0.929 . . . . 2.6800000000000002 108.717 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.531 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.72 -47.04 85.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.782 -1.554 . . . . 3.1299999999999999 111.432 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -49.34 71.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.722 -0.672 . . . . 5.21 109.304 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.792 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 40.2 t80 -59.82 -28.99 67.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.56 -0.745 . . . . 3.6200000000000001 111.43 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -85.4 -26.1 26.62 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.695 0.759 . . . . 2.9399999999999999 109.527 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.35 30.97 14.79 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 114.313 -1.312 . . . . 3.6600000000000001 111.599 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.658 ' HB ' ' CB ' ' B' ' 19' ' ' THR . 9.2 m -140.01 153.54 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.094 -0.553 . . . . 3.5299999999999998 112.475 -176.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.1 m -49.92 165.09 0.09 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 122.245 1.021 . . . . 4.3799999999999999 112.166 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.764 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 54.8 t80 -61.14 -59.24 5.65 Favored 'General case' 0 C--O 1.159 -3.682 0 CA-C-N 115.022 -0.99 . . . . 3.6200000000000001 109.207 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.17 16.5 0.17 Allowed 'General case' 0 C--N 1.291 -1.963 0 C-N-CA 126.421 1.888 . . . . 5.04 108.601 171.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.658 ' CB ' ' HB ' ' B' ' 15' ' ' VAL . 32.2 m -82.1 -64.69 1.13 Allowed 'General case' 0 N--CA 1.414 -2.237 1 N-CA-C 98.983 -4.451 . . . . 3.7799999999999998 98.983 165.534 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.84 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.5 OUTLIER -76.4 -36.2 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 C-N-CA 127.538 2.335 . . . . 2.9300000000000002 116.715 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.9 p -62.48 -29.27 70.41 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.413 -0.804 . . . . 3.23 109.959 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.495 ' HD3' ' CG1' ' B' ' 30' ' ' VAL . 0.0 OUTLIER -69.62 -32.01 70.47 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 106.658 -1.608 . . . . 5.4000000000000004 106.658 176.72 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 1.09 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 97.6 t -66.33 -51.07 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 CA-C-N 113.846 -1.525 . . . . 3.1800000000000002 108.988 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -65.23 -20.88 28.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.081 -0.963 . . . . 3.1200000000000001 111.762 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -95.35 -10.3 30.49 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.825 -0.75 . . . . 4.0700000000000003 112.298 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' B' ' 27' ' ' ALA . 3.2 pt20 171.19 -49.49 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 122.738 0.415 . . . . 6.0300000000000002 111.049 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 1.09 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 56.21 27.61 11.95 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.977 0.911 . . . . 4.4800000000000004 112.443 -178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -8.96 58.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.159 0.504 . . . . 5.6900000000000004 111.044 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.545 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 92.0 m-70 -129.59 79.11 1.89 Allowed 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.14 -0.689 . . . . 6.5300000000000002 109.14 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.518 ' HA ' " H3'" ' D' ' 2' ' ' ' DG' . 14.3 m -149.95 -177.66 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 CA-C-O 121.657 0.742 . . . . 4.4299999999999997 112.434 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.4 m -109.83 169.78 8.5 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.562 -1.199 . . . . 3.96 110.104 177.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.84 -72.51 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.448 0.907 . . . . 3.3100000000000001 113.448 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 5.5 ptpt -55.64 -29.33 59.04 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.218 0.821 . . . . 4.9000000000000004 113.218 -177.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.693 ' O ' HG13 ' B' ' 38' ' ' VAL . 25.1 m -61.74 -44.14 97.49 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.626 -0.43 . . . . 3.1299999999999999 111.117 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 19.3 mtm180 -67.24 -35.38 79.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.988 0.423 . . . . 3.9100000000000001 110.236 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -67.77 -38.87 84.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.597 -0.728 . . . . 2.9399999999999999 111.109 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -71.8 -45.62 60.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.117 -0.492 . . . . 3.1000000000000001 111.056 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.84 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.4 m -67.07 -46.5 84.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.536 -0.302 . . . . 2.3300000000000001 110.199 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.625 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.5 tt0 -59.99 -41.75 92.71 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.046 -0.724 . . . . 3.0 109.046 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.711 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.71 -53.98 46.14 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.147 -0.686 . . . . 2.6499999999999999 109.147 178.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.792 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.6 -51.82 52.51 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.155 0.798 . . . . 2.6800000000000002 113.155 -179.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.48 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.6 ptp -64.96 -32.48 74.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.767 0.318 . . . . 2.7400000000000002 110.396 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.43 -42.69 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 3.4300000000000002 111.217 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.711 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.2 mm-40 -69.24 -44.63 71.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.869 -0.605 . . . . 3.8100000000000001 110.737 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.1 mt -81.29 1.39 32.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.54 -0.755 . . . . 3.4700000000000002 111.053 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 10.7 t30 73.99 -53.88 0.68 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.641 0.588 . . . . 4.3899999999999997 109.899 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.726 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 7.9 t80 53.33 102.95 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 113.743 1.016 . . . . 2.9700000000000002 113.743 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 1.3 tp -118.05 119.72 33.24 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.29 -0.868 . . . . 3.9700000000000002 109.122 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -96.15 149.5 1.26 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.963 2.442 . . . . 3.6600000000000001 114.145 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -165.09 88.5 0.45 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.66 -0.7 . . . . 5.1100000000000003 110.489 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -139.58 22.66 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 8.3200000000000003 110.677 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 59.0 m -132.23 -120.08 0.2 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 6.1200000000000001 110.666 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -153.2 97.92 2.22 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.179 0.514 . . . . 7.4400000000000004 111.267 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -120.51 -7.07 9.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.566 -0.743 . . . . 10.52 110.957 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -108.72 10.48 26.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.977 -0.556 . . . . 12.48 110.147 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 56' ' ' LEU . 3.3 mm? -87.88 -91.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.737 -0.665 . . . . 11.92 110.826 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.19 -74.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.452 -0.34 . . . . 12.460000000000001 110.758 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.32 -167.22 17.33 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.745 -0.741 . . . . 14.220000000000001 112.271 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -84.57 77.54 10.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.985 0.421 . . . . 16.629999999999999 110.401 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -128.83 85.89 2.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.95 -0.568 . . . . 18.329999999999998 111.045 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.2 m -78.13 -38.09 44.64 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.241 -0.281 . . . . 19.620000000000001 110.241 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--O 1.252 1.205 0 CA-C-N 115.441 -0.8 . . . . 21.170000000000002 111.514 179.675 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.452 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.548 0 O5'-C5'-C4' 111.586 0.99 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.405 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.084 0 O4'-C1'-N19 109.153 1.691 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.439 ' OP2' HG12 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-N19 109.315 1.893 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.586 " H2'" HE22 ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O3'-P-O5' 100.839 -1.664 . . . . 5.9699999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O3'-P-O5' 100.728 -1.722 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O3'-P-O5' 100.641 -1.768 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.419 -0.911 0 O3'-P-O5' 100.192 -2.004 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O3'-P-O5' 100.338 -1.927 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O3'-P-O5' 100.218 -1.99 . . . . 6.2400000000000002 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O3'-P-O5' 100.817 -1.675 . . . . 5.0499999999999998 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.668 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.083 0 C5'-C4'-C3' 111.335 -2.243 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.438 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.416 -1.136 0 O3'-P-O5' 98.4 -2.947 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.438 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.416 -1.125 0 O3'-P-O5' 100.013 -2.098 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.154 0 O3'-P-O5' 99.85 -2.184 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O3'-P-O5' 100.553 -1.814 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O3'-P-O5' 100.315 -1.939 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C1'-N19 108.912 1.39 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 N19-C1'-C2' 115.969 1.106 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.518 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-N19 108.798 1.247 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.545 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C1'-N19 109.132 1.666 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.485 H2'' ' OP2' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O4'-C1'-N19 109.947 2.684 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.485 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.421 -0.783 0 O3'-P-O5' 99.882 -2.167 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.047 0 O3'-P-O5' 100.905 -1.629 . . . . 7.4699999999999998 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.014 0 O4'-C1'-N19 109.327 1.908 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.418 -1.021 0 O3'-P-O5' 99.915 -2.15 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.418 -1.002 0 O3'-P-O5' 99.925 -2.145 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O3'-P-O5' 99.793 -2.214 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C1'-N19 109.341 1.927 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.063 0 O3'-P-O5' 99.453 -2.393 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.077 0 O3'-P-O5' 99.753 -2.235 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 O3'-P-O5' 99.764 -2.229 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O3'-P-O5' 100.036 -2.086 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O3'-P-O5' 100.634 -1.771 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.019 0 O3'-P-O5' 100.723 -1.725 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O3'-P-O5' 101.554 -1.287 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.123 0.93 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 tpt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.425 -0.213 . . . . 8.1099999999999994 110.425 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -151.11 107.41 3.0 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.675 -0.239 . . . . 7.29 110.852 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -85.51 -155.66 0.06 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.736 2.291 . . . . 4.3700000000000001 110.795 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.651 HG13 ' HB2' ' A' ' 8' ' ' ASP . 28.9 t -97.9 142.44 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 122.247 1.022 . . . . 3.4500000000000002 111.411 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.7 p -120.44 163.34 18.06 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 105.633 -1.988 . . . . 3.5499999999999998 105.633 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.645 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.6 mt -59.32 -22.58 61.46 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 119.372 -0.931 . . . . 2.8500000000000001 110.93 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -65.35 -38.24 89.5 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.503 -0.771 . . . . 4.3899999999999997 110.217 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.651 ' HB2' HG13 ' A' ' 4' ' ' VAL . 27.0 m-20 -65.58 -45.27 83.92 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 114.437 -1.256 . . . . 4.1299999999999999 109.731 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 41' ' ' ALA . 96.7 t -68.07 -41.69 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 115.209 -0.905 . . . . 2.9100000000000001 109.202 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.586 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.47 -46.83 83.23 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.708 -1.133 . . . . 3.1400000000000001 111.334 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.16 -49.31 61.8 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.647 -0.501 . . . . 5.2400000000000002 109.647 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.84 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 50.2 t80 -60.81 -27.74 68.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.656 -0.702 . . . . 3.8199999999999998 111.476 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.93 -27.95 28.19 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.742 0.782 . . . . 2.8700000000000001 109.524 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.1 35.15 9.11 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-N 114.693 -1.139 . . . . 3.2799999999999998 110.968 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.822 HG11 HG23 ' A' ' 34' ' ' THR . 5.6 m -139.48 146.54 25.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.498 -0.851 . . . . 3.3900000000000001 110.178 -178.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -55.85 149.85 14.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.602 0.715 . . . . 4.3399999999999999 110.384 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 71.2 t80 -51.62 -51.18 57.74 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.652 -1.158 . . . . 3.71 111.871 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.58 -22.15 64.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.549 -0.751 . . . . 5.5 111.927 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 23' ' ' VAL . 9.1 m -68.67 -61.12 1.95 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.557 -0.292 . . . . 3.6499999999999999 110.349 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.586 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -68.52 -29.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 2.8500000000000001 111.932 -179.21 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.4 m -58.1 -42.5 85.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.142 0.496 . . . . 3.1899999999999999 109.857 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -29.97 67.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.807 -0.812 . . . . 4.4400000000000004 108.807 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.101 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 71.5 t -67.28 -50.37 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 114.533 -1.212 . . . . 2.9100000000000001 110.51 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -18.92 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.094 -0.957 . . . . 2.7200000000000002 111.473 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -96.32 -13.82 23.02 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.873 0.694 . . . . 3.6800000000000002 112.873 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 165.32 -45.76 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.417 0.448 . . . . 6.0800000000000001 111.762 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.101 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 57.63 63.42 1.83 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.09 0.471 . . . . 4.6299999999999999 111.873 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -8.61 59.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.104 -0.498 . . . . 5.0899999999999999 111.585 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -151.96 99.7 2.58 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.623 -0.51 . . . . 5.7999999999999998 109.623 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.576 HG11 ' HB1' ' A' ' 27' ' ' ALA . 4.2 p -171.86 154.69 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.788 -0.642 . . . . 4.2300000000000004 109.843 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.97 171.11 11.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.392 0.615 . . . . 3.6600000000000001 112.139 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.1 -64.97 0.79 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.232 -0.894 . . . . 3.2799999999999998 112.054 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HE2' ' HB3' ' A' ' 33' ' ' LYS . 7.7 ptpt -52.31 -33.77 43.89 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.204 0.446 . . . . 4.5899999999999999 112.204 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.822 HG23 HG11 ' A' ' 15' ' ' VAL . 26.6 m -63.91 -42.53 97.39 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 116.835 -0.166 . . . . 2.8599999999999999 111.421 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 38' ' ' VAL . 20.0 mtm180 -66.98 -37.11 83.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.095 -0.706 . . . . 4.1600000000000001 109.095 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -67.63 -35.38 78.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.451 -1.25 . . . . 3.5499999999999998 110.264 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -71.01 -46.69 61.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.583 -0.735 . . . . 2.8399999999999999 110.683 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.947 HG21 HG11 ' A' ' 23' ' ' VAL . 2.5 m -64.98 -47.02 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.984 -0.376 . . . . 2.2599999999999998 109.984 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.47 -42.14 99.28 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.972 -0.558 . . . . 3.27 110.008 179.108 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.753 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.96 -53.34 58.43 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.5 -0.926 . . . . 2.8599999999999999 108.5 177.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.84 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.52 -51.83 51.93 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 113.236 0.828 . . . . 2.8900000000000001 113.236 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.419 ' N ' HG13 ' A' ' 9' ' ' VAL . 16.7 ptp -65.18 -32.29 73.89 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.732 -0.387 . . . . 2.8799999999999999 110.417 -179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.91 66.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.972 0.415 . . . . 3.6000000000000001 111.069 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.753 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.5 mm-40 -69.59 -44.36 70.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 4.0899999999999999 110.82 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.8 mt -79.34 -0.0 30.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.468 -0.787 . . . . 3.71 110.611 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 13.5 t30 75.04 -49.06 0.65 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.757 0.661 . . . . 4.1799999999999997 110.672 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.645 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.4 t80 51.85 58.26 5.64 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.871 0.843 . . . . 3.1000000000000001 109.523 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.448 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 9.9 tp -49.0 116.72 5.72 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 113.931 -1.486 . . . . 3.7000000000000002 113.462 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 79.1 Cg_endo -98.93 -142.78 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 123.614 2.876 . . . . 3.6000000000000001 111.325 177.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.444 ' H ' ' HB2' ' A' ' 49' ' ' PRO . 63.0 t30 -81.54 68.51 7.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.422 0.629 . . . . 5.1399999999999997 110.25 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -106.78 36.41 2.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.699 -0.682 . . . . 9.0 110.979 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.28 119.21 1.24 Allowed 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.78 0.8 . . . . 5.8700000000000001 110.67 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -159.75 148.99 17.9 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.101 -1.409 . . . . 7.9500000000000002 110.656 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -152.41 142.45 22.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.735 -0.211 . . . . 10.550000000000001 110.57 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 69.86 -59.99 0.49 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.91 0.884 . . . . 13.16 112.017 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.7 mt -75.11 138.55 42.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.128 -0.487 . . . . 12.140000000000001 111.072 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.47 151.95 36.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.132 -0.485 . . . . 14.140000000000001 110.544 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.649 ' HA3' HG22 ' B' ' 48' ' ' ILE . . . -148.52 157.56 27.35 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.931 -0.652 . . . . 16.039999999999999 111.504 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -118.77 157.27 27.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.913 0.387 . . . . 17.800000000000001 110.813 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -89.31 150.18 22.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.754 -0.657 . . . . 19.609999999999999 109.979 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.9 47.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.018 0.437 . . . . 20.57 111.212 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.5 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 21.890000000000001 110.622 -179.637 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.5 ttm . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.285 0.564 . . . . 10.35 110.136 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 0.3 OUTLIER -144.55 120.72 6.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.757 -0.656 . . . . 8.3300000000000001 110.265 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.436 ' HD2' HG12 ' B' ' 48' ' ' ILE . 24.8 Cg_exo -63.27 -56.27 0.58 Allowed 'Trans proline' 0 CA--C 1.515 -0.44 0 C-N-CA 123.103 2.535 . . . . 4.4900000000000002 112.928 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.553 HG13 ' HB2' ' B' ' 8' ' ' ASP . 36.8 t -126.0 143.13 40.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.811 0.815 . . . . 3.1600000000000001 111.396 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.41 ' O ' HG12 ' B' ' 4' ' ' VAL . 32.9 p -109.52 159.25 17.22 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 105.864 -1.902 . . . . 3.1699999999999999 105.864 175.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.976 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.4 mt -61.4 -20.89 63.57 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 118.858 -1.137 . . . . 2.5600000000000001 109.336 178.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.58 -40.12 96.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.746 -1.115 . . . . 4.2800000000000002 109.893 177.839 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.553 ' HB2' HG13 ' B' ' 4' ' ' VAL . 20.5 m-20 -64.16 -44.46 92.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 113.855 -1.521 . . . . 3.77 109.739 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.458 HG13 ' N ' ' B' ' 42' ' ' MET . 93.9 t -67.9 -41.64 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.186 -0.916 . . . . 2.6800000000000002 109.239 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.512 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -59.93 -46.89 87.94 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.238 -1.346 . . . . 3.1299999999999999 111.412 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.41 -49.11 70.45 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.497 0.665 . . . . 5.21 109.376 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.739 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 52.7 t80 -60.86 -28.25 68.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.903 -1.044 . . . . 3.6200000000000001 111.29 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.97 -26.73 26.95 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.452 0.644 . . . . 2.9399999999999999 109.281 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.27 31.7 13.56 Favored Glycine 0 CA--C 1.501 -0.834 0 CA-C-N 114.719 -1.128 . . . . 3.6600000000000001 111.32 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.641 ' HB ' HG21 ' B' ' 19' ' ' THR . 9.5 m -140.21 150.88 21.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.648 -0.776 . . . . 3.5299999999999998 110.758 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 14.2 m -47.35 161.98 0.07 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.601 0.715 . . . . 4.3799999999999999 112.349 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.724 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 66.4 t80 -60.42 -60.89 3.09 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 114.971 -1.013 . . . . 3.6200000000000001 108.851 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 1.049 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -71.3 11.31 0.46 Allowed 'General case' 0 C--O 1.251 1.145 0 C-N-CA 120.16 -0.616 . . . . 5.04 112.222 174.689 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.641 HG21 ' HB ' ' B' ' 15' ' ' VAL . 45.8 m -74.4 -63.21 1.28 Allowed 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 101.894 -3.372 . . . . 3.7799999999999998 101.894 170.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.836 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.6 m -75.48 -32.06 24.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 113.943 -1.48 . . . . 2.9300000000000002 112.652 177.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' SER . . . . . 1.049 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 37.5 t -61.62 -36.57 81.13 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 121.422 -0.799 . . . . 3.23 110.011 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -67.91 -32.37 72.8 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.386 -1.339 . . . . 5.4000000000000004 107.386 178.272 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.963 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 87.3 t -66.04 -50.49 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 113.747 -1.57 . . . . 3.1800000000000002 109.653 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.22 -20.61 27.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.053 -0.976 . . . . 3.1200000000000001 112.364 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -97.37 -9.57 27.19 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.82 -0.752 . . . . 4.0700000000000003 112.793 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 166.66 -54.05 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.786 0.834 . . . . 6.0300000000000002 110.874 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.963 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 60.81 42.67 13.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.969 -1.014 . . . . 4.4800000000000004 111.703 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -22.64 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.145 0.497 . . . . 5.6900000000000004 110.742 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.669 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 27.4 m170 -132.07 87.03 2.39 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.918 -0.583 . . . . 6.5300000000000002 109.921 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.656 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 17.4 m -144.9 176.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.406 -0.361 . . . . 4.4299999999999997 111.163 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 43.1 m -106.82 170.54 7.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.243 -0.435 . . . . 3.96 110.961 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.97 -69.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.522 -0.763 . . . . 3.3100000000000001 112.572 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -52.91 -28.93 25.67 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.17 0.433 . . . . 4.9000000000000004 112.17 -178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.716 ' O ' HG13 ' B' ' 38' ' ' VAL . 15.6 m -62.53 -54.78 34.75 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 111.733 0.272 . . . . 3.1299999999999999 111.733 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -60.1 -41.12 91.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.982 0.42 . . . . 3.9100000000000001 110.929 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.16 -33.87 76.35 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.502 -0.772 . . . . 2.9399999999999999 111.331 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -77.39 -42.15 37.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.574 -0.285 . . . . 3.1000000000000001 110.741 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.836 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.3 m -68.22 -45.14 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.666 -0.494 . . . . 2.3300000000000001 109.666 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.14 -37.61 85.81 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.178 -0.675 . . . . 3.0 109.178 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.66 -54.96 31.52 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.634 -0.876 . . . . 2.6499999999999999 108.634 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.739 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.15 -51.43 53.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.618 -0.719 . . . . 2.6800000000000002 112.751 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.458 ' N ' HG13 ' B' ' 9' ' ' VAL . 16.9 ptp -64.22 -32.03 73.46 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.032 -0.267 . . . . 2.7400000000000002 110.381 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.11 -44.59 65.32 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.073 0.463 . . . . 3.4300000000000002 111.069 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.8 -43.42 79.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.72 -0.673 . . . . 3.8100000000000001 110.391 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.0 mt -80.72 0.91 32.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.648 -0.706 . . . . 3.4700000000000002 110.758 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.436 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 2.4 t-20 75.47 -56.5 0.61 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.503 0.721 . . . . 4.3899999999999997 110.189 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.976 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 2.5 t80 54.57 98.16 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 O-C-N 124.008 0.817 . . . . 2.9700000000000002 111.434 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.649 HG22 ' HA3' ' A' ' 58' ' ' GLY . 1.6 pp -80.62 152.18 72.28 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-N 115.773 -0.649 . . . . 3.9700000000000002 111.405 -178.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 48' ' ' ILE . 70.0 Cg_endo -91.94 125.16 0.8 Allowed 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.675 2.917 . . . . 3.6600000000000001 111.763 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.93 85.75 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.796 -0.361 . . . . 5.1100000000000003 111.652 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' B' ' 52' ' ' CYS . 29.0 ttm-85 -178.89 -83.69 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.017 -0.538 . . . . 8.3200000000000003 110.532 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 7.8 t 174.13 139.61 0.04 OUTLIER 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 108.284 -1.006 . . . . 6.1200000000000001 108.284 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.06 -78.0 0.07 Allowed 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 114.274 -1.33 . . . . 7.4400000000000004 111.711 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.445 ' HG3' ' H ' ' B' ' 56' ' ' LEU . 17.7 pt20 -158.21 -170.23 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.735 0.303 . . . . 10.52 110.289 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.434 ' OE1' ' HB2' ' B' ' 54' ' ' GLN . 1.5 pm0 -80.29 10.01 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.522 . . . . 12.48 111.201 -179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.445 ' H ' ' HG3' ' B' ' 54' ' ' GLN . 71.7 mt 61.36 20.4 11.07 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.921 -0.582 . . . . 11.92 111.685 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.48 170.75 14.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.236 -0.438 . . . . 12.460000000000001 110.374 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 90.54 -7.06 81.96 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.715 -0.755 . . . . 14.220000000000001 112.086 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -64.87 -30.66 71.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 16.629999999999999 110.887 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -128.04 45.45 2.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.945 -0.57 . . . . 18.329999999999998 109.951 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 36.3 m -122.74 141.12 52.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.931 -0.577 . . . . 19.620000000000001 110.539 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.766 -0.635 . . . . 21.170000000000002 110.063 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.513 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 O4'-C1'-N19 108.612 1.015 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.014 0 O4'-C1'-N19 109.513 2.141 . . . . 6.3700000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.468 ' OP2' HG23 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O3'-P-O5' 100.824 -1.672 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-N19 109.264 1.83 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-N19 108.886 1.357 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C1'-N19 109.442 2.052 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-N19 109.499 2.124 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.403 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O4'-C1'-N19 109.16 1.7 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.432 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O3'-P-O5' 101.086 -1.534 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.432 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-N19 108.809 1.261 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.416 " H3'" ' OH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 110.053 2.816 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O3'-P-O5' 99.221 -2.515 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O3'-P-O5' 100.009 -2.101 . . . . 6.0800000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.124 0 O4'-C1'-N19 109.227 1.783 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.037 0 O3'-P-O5' 100.688 -1.743 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O3'-P-O5' 100.604 -1.787 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 O4'-C1'-N19 108.906 1.382 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 N19-C1'-C2' 115.814 1.009 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.445 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.579 0 O4'-C1'-C2' 107.034 0.849 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.669 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O4'-C1'-N19 109.568 2.21 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.656 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-N19 109.982 2.727 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.507 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.523 -0.515 0 O3'-P-O5' 100.125 -2.039 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . 0.421 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-N19 108.757 1.196 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C1'-N19 109.495 2.119 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-N19 109.455 2.068 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 O4'-C1'-N19 109.282 1.853 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O3'-P-O5' 100.83 -1.669 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-N19 108.951 1.438 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 109.653 2.316 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.094 0 O3'-P-O5' 100.342 -1.925 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . 0.401 " C2'" ' H72' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.969 0 O3'-P-O5' 100.029 -2.09 . . . . 5.6500000000000004 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.401 ' H72' " C2'" ' D' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O3'-P-O5' 100.616 -1.781 . . . . 7.2400000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C1'-N19 109.149 1.686 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C1'-N19 109.076 1.595 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O3'-P-O5' 101.592 -1.268 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.107 0.915 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.12 -0.326 . . . . 8.1099999999999994 110.12 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 6.3 ptmm? -104.32 147.52 34.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 N-CA-C 110.294 -0.262 . . . . 7.29 110.294 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 3.4 Cg_exo -76.66 174.69 12.43 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.787 2.325 . . . . 4.3700000000000001 112.544 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.601 HG13 ' CB ' ' A' ' 8' ' ' ASP . 94.6 t -125.24 144.22 36.05 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 CA-C-N 115.432 -0.804 . . . . 3.4500000000000002 109.815 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 40.2 p -108.67 158.51 17.54 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 106.465 -1.68 . . . . 3.5499999999999998 106.465 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.92 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 1.6 mt -59.02 -23.98 62.42 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.051 -1.059 . . . . 2.8500000000000001 110.756 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -65.21 -35.45 81.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.313 -0.858 . . . . 4.3899999999999997 110.042 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.601 ' CB ' HG13 ' A' ' 4' ' ' VAL . 5.1 m-20 -65.51 -46.81 78.24 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 114.377 -1.283 . . . . 4.1299999999999999 109.815 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.437 HG13 ' HB3' ' A' ' 41' ' ' ALA . 96.3 t -68.37 -41.24 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 115.712 -0.676 . . . . 2.9100000000000001 109.365 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.0 -46.82 84.62 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.581 -1.191 . . . . 3.1400000000000001 111.603 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.81 -49.78 60.44 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.497 0.665 . . . . 5.2400000000000002 109.535 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.793 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 52.8 t80 -60.51 -27.42 67.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.677 -1.147 . . . . 3.8199999999999998 111.752 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.05 -27.6 26.23 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.602 0.715 . . . . 2.8700000000000001 109.659 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 35.12 8.95 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 114.751 -1.113 . . . . 3.2799999999999998 110.957 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.624 HG11 HG23 ' A' ' 34' ' ' THR . 5.2 m -139.08 147.36 24.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.315 -0.942 . . . . 3.3900000000000001 109.847 -178.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 m -55.72 150.29 12.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.639 0.733 . . . . 4.3399999999999999 110.239 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.681 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 79.1 t80 -51.7 -51.45 55.92 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 114.49 -1.232 . . . . 3.71 112.219 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -25.05 66.43 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.465 -0.789 . . . . 5.5 111.694 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.7 m -64.98 -61.49 2.13 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.884 0.373 . . . . 3.6499999999999999 110.229 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.668 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -69.37 -29.1 40.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 2.8500000000000001 111.291 -179.736 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.483 ' HA ' HD13 ' A' ' 6' ' ' LEU . 33.9 t -58.43 -43.69 88.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.039 -0.726 . . . . 3.1899999999999999 109.039 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 19' ' ' THR . 1.7 ptm180 -70.16 -26.56 63.98 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.761 -0.654 . . . . 4.4400000000000004 109.379 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.044 HG11 HG21 ' A' ' 38' ' ' VAL . 46.9 t -66.39 -50.35 68.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.377 -0.829 . . . . 2.9100000000000001 110.562 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -21.02 28.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.041 -0.981 . . . . 2.7200000000000002 112.124 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -110.88 -10.12 14.43 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.543 0.942 . . . . 3.6800000000000002 113.543 -177.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -171.96 -79.45 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.067 0.395 . . . . 6.0800000000000001 112.067 -179.388 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.02 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 56.76 50.23 12.91 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.034 0.533 . . . . 4.6299999999999999 112.095 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -74.74 -12.32 60.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.208 -0.451 . . . . 5.0899999999999999 110.97 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -146.51 92.34 2.15 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.353 -0.385 . . . . 5.7999999999999998 110.754 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.632 HG21 ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -154.8 160.74 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.571 -0.741 . . . . 4.2300000000000004 109.01 179.581 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.472 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 50.7 m -71.13 167.29 19.64 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.203 0.525 . . . . 3.6600000000000001 111.48 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.06 -59.15 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.403 -0.817 . . . . 3.2799999999999998 110.318 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -53.33 -34.21 56.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.658 -0.701 . . . . 4.5899999999999999 111.501 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.691 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.4 m -63.38 -46.87 84.48 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.525 -0.307 . . . . 2.8599999999999999 111.708 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' O ' HG22 ' A' ' 38' ' ' VAL . 20.0 mtm180 -67.31 -37.84 84.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.462 -0.57 . . . . 4.1600000000000001 109.462 -178.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 19.0 mt-10 -68.14 -30.54 69.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.271 -0.877 . . . . 3.5499999999999998 110.131 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -73.65 -47.69 37.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.05 -0.523 . . . . 2.8399999999999999 109.815 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.044 HG21 HG11 ' A' ' 23' ' ' VAL . 3.0 m -64.17 -44.84 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 108.735 -0.839 . . . . 2.2599999999999998 108.735 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 5.7 mt-10 -57.79 -48.95 78.22 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.427 -0.806 . . . . 3.27 109.601 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.03 -55.55 33.65 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 109.244 -0.65 . . . . 2.8599999999999999 109.244 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.793 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.73 -51.51 49.34 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.284 0.846 . . . . 2.8900000000000001 113.284 -178.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 16.6 ptp -65.26 -32.49 74.19 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.697 -0.401 . . . . 2.8799999999999999 110.337 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.27 -44.26 65.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.971 0.415 . . . . 3.6000000000000001 111.348 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -43.25 74.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.83 -0.623 . . . . 4.0899999999999999 110.795 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.9 mt -81.37 0.44 37.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.857 -0.61 . . . . 3.71 110.613 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 t30 74.86 -54.91 0.66 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.505 0.722 . . . . 4.1799999999999997 110.023 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.92 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.7 t80 61.09 111.75 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 122.073 0.939 . . . . 3.1000000000000001 111.773 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.627 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 2.6 pp -63.99 160.77 44.49 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.132 -0.94 . . . . 3.7000000000000002 111.624 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.627 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 61.4 Cg_endo -72.29 76.24 2.25 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.306 2.671 . . . . 3.6000000000000001 112.575 -179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -71.98 -29.3 64.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.607 -0.724 . . . . 5.1399999999999997 112.553 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.559 ' HD2' ' OP1' ' D' ' 12' ' ' ' DC' . 0.0 OUTLIER -137.73 -77.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.622 -0.674 . . . . 9.0 111.768 -179.34 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.13 114.41 0.79 Allowed 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.461 0.648 . . . . 5.8700000000000001 109.771 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.33 120.6 12.28 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 114.738 -1.119 . . . . 7.9500000000000002 110.627 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -133.47 -91.73 0.36 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.252 0.549 . . . . 10.550000000000001 109.663 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -116.41 -9.76 11.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.418 -0.81 . . . . 13.16 109.412 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.4 tp -166.52 164.05 17.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.012 -0.994 . . . . 12.140000000000001 108.663 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.13 -49.32 0.1 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.283 0.364 . . . . 14.140000000000001 110.316 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.34 158.82 53.73 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.749 -0.659 . . . . 16.039999999999999 112.72 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -127.65 116.14 19.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.807 0.337 . . . . 17.800000000000001 110.525 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -136.06 151.5 49.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.088 -0.505 . . . . 19.609999999999999 109.823 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -74.61 85.47 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.739 0.304 . . . . 20.57 110.855 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.0 tp . . . . . 0 N--CA 1.465 0.315 0 CA-C-N 115.941 -0.572 . . . . 21.890000000000001 111.706 179.448 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.5 mtm . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.076 0.465 . . . . 10.35 110.783 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 0.0 OUTLIER -128.47 116.33 19.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.74 -0.664 . . . . 8.3300000000000001 109.62 179.647 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 7.1 Cg_exo -74.25 161.01 41.4 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 123.238 2.625 . . . . 4.4900000000000002 113.317 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.63 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 73.4 t -127.9 140.45 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 CA-C-N 115.172 -0.922 . . . . 3.1600000000000001 109.166 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 31.9 p -98.49 156.47 16.76 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 106.651 -1.611 . . . . 3.1699999999999999 106.651 177.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.883 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -60.9 -21.67 63.58 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 118.356 -1.337 . . . . 2.5600000000000001 109.079 178.435 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -64.01 -40.24 95.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.671 -1.149 . . . . 4.2800000000000002 109.842 177.33 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.622 ' CB ' HG13 ' B' ' 4' ' ' VAL . 7.6 m-20 -61.83 -44.53 96.66 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 114.087 -1.415 . . . . 3.77 109.726 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' B' ' 42' ' ' MET . 70.8 t -68.55 -41.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.419 -0.81 . . . . 2.6800000000000002 109.076 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.491 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.87 -46.11 88.56 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.254 -1.339 . . . . 3.1299999999999999 111.467 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.06 -49.16 71.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.749 -0.659 . . . . 5.21 109.621 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.808 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 47.3 t80 -61.46 -28.1 69.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.837 -1.074 . . . . 3.6200000000000001 111.401 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.16 -26.51 25.12 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.764 0.792 . . . . 2.9399999999999999 108.986 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.13 32.71 11.81 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 114.284 -1.325 . . . . 3.6600000000000001 111.916 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.758 ' HB ' HG21 ' B' ' 19' ' ' THR . 8.1 m -139.78 150.38 22.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.131 -0.534 . . . . 3.5299999999999998 112.078 -176.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.566 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -49.97 154.8 1.03 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.374 0.607 . . . . 4.3799999999999999 110.656 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.883 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 66.3 t80 -51.25 -59.89 3.71 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 108.423 -0.954 . . . . 3.6200000000000001 108.423 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.768 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -70.53 6.77 1.27 Allowed 'General case' 0 CA--C 1.482 -1.665 0 CA-C-N 115.179 -0.919 . . . . 5.04 112.518 178.038 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.758 HG21 ' HB ' ' B' ' 15' ' ' VAL . 18.7 m -72.66 -64.35 0.98 Allowed 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 101.675 -3.454 . . . . 3.7799999999999998 101.675 170.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.737 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.2 m -75.79 -31.1 22.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 CA-C-N 112.845 -1.979 . . . . 2.9300000000000002 114.291 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.768 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 36.2 t -61.43 -33.19 73.3 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.559 -0.713 . . . . 3.23 109.409 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.495 HH12 ' C7 ' ' D' ' 4' ' ' ' DT' . 0.0 OUTLIER -66.96 -33.57 75.86 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.035 -1.469 . . . . 5.4000000000000004 107.035 178.295 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 1.085 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 93.6 t -66.09 -50.98 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 113.605 -1.634 . . . . 3.1800000000000002 109.528 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.24 -20.19 26.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.549 -1.205 . . . . 3.1200000000000001 112.741 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.442 ' O ' ' HG2' ' B' ' 26' ' ' GLN . 4.4 m-80 -99.48 -10.21 22.43 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.44 -0.904 . . . . 4.0700000000000003 113.3 -176.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' B' ' 25' ' ' ASN . 3.0 mm-40 170.89 -53.67 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.909 0.756 . . . . 6.0300000000000002 110.734 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 1.085 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 62.99 31.98 15.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.968 -1.015 . . . . 4.4800000000000004 112.07 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -18.11 62.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.26 0.553 . . . . 5.6900000000000004 111.215 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -130.27 88.75 2.69 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.088 -0.708 . . . . 6.5300000000000002 109.088 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.608 ' HA ' " H3'" ' D' ' 2' ' ' ' DG' . 10.0 p -165.94 168.64 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.573 0.225 . . . . 4.4299999999999997 110.961 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.471 ' N ' HG22 ' B' ' 30' ' ' VAL . 3.7 p -94.71 176.69 6.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 3.96 111.574 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -70.84 -69.63 0.35 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.305 0.854 . . . . 3.3100000000000001 113.305 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.431 ' HA ' ' OE1' ' B' ' 36' ' ' GLU . 7.3 pttp -48.57 -33.19 9.27 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.022 0.749 . . . . 4.9000000000000004 113.022 -177.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.705 ' O ' HG13 ' B' ' 38' ' ' VAL . 87.2 m -60.57 -51.82 67.8 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 120.83 -0.348 . . . . 3.1299999999999999 110.723 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.427 ' HA ' HG22 ' B' ' 38' ' ' VAL . 18.6 mtm180 -63.44 -35.51 80.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 3.9100000000000001 110.409 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 41.1 mt-10 -66.83 -34.4 77.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.662 -0.699 . . . . 2.9399999999999999 111.023 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -82.14 -40.28 22.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.255 -0.429 . . . . 3.1000000000000001 111.465 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.851 HG21 HG11 ' B' ' 23' ' ' VAL . 4.3 m -67.86 -45.82 83.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.598 -0.519 . . . . 2.3300000000000001 109.598 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.416 ' N ' HG23 ' B' ' 38' ' ' VAL . 3.3 mt-10 -62.74 -38.0 88.81 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.462 -0.57 . . . . 3.0 109.462 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.667 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.73 -54.18 43.09 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.382 -0.969 . . . . 2.6499999999999999 108.382 177.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.808 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.08 -51.26 58.81 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.502 -0.772 . . . . 2.6800000000000002 113.031 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.441 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.8 ptp -64.43 -32.17 73.68 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.988 -0.285 . . . . 2.7400000000000002 110.334 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 -45.31 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 3.4300000000000002 111.062 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.667 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 8.8 mm-40 -66.53 -44.82 81.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.746 -0.661 . . . . 3.8100000000000001 110.711 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.2 mt -81.31 -0.04 39.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.702 -0.681 . . . . 3.4700000000000002 110.671 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 72.7 -46.76 0.66 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.556 0.742 . . . . 4.3899999999999997 110.495 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.74 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 2.7 t80 53.97 82.49 0.08 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.632 0.73 . . . . 2.9700000000000002 112.14 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' B' ' 48' ' ' ILE . 4.9 tp -89.28 122.0 68.95 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 115.527 -0.76 . . . . 3.9700000000000002 110.081 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 48' ' ' ILE . 1.7 Cg_endo -83.04 65.38 7.95 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.823 2.349 . . . . 3.6600000000000001 112.376 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.452 ' HB3' ' H ' ' B' ' 51' ' ' ARG . 0.2 OUTLIER -163.34 -122.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.818 0.342 . . . . 5.1100000000000003 110.349 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.452 ' H ' ' HB3' ' B' ' 50' ' ' ASN . 5.8 tpt180 -178.43 -57.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.992 -0.744 . . . . 8.3200000000000003 108.992 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.61 -86.24 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.629 -0.714 . . . . 6.1200000000000001 110.105 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.09 65.68 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.592 -0.443 . . . . 7.4400000000000004 111.822 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 49' ' ' PRO . 18.6 mt-30 -83.29 -42.16 17.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.155 0.502 . . . . 10.52 109.822 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -111.17 22.93 14.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.629 -0.714 . . . . 12.48 109.614 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.3 mt -127.03 162.08 26.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.247 -0.888 . . . . 11.92 109.965 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.31 75.82 5.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.967 0.413 . . . . 12.460000000000001 111.1 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -138.51 45.61 1.03 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.966 -0.635 . . . . 14.220000000000001 111.878 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -89.64 149.07 22.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.878 0.37 . . . . 16.629999999999999 110.448 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -109.89 10.62 24.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.594 0.712 . . . . 18.329999999999998 109.133 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.11 164.87 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.02 -0.991 . . . . 19.620000000000001 110.63 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 30.8 tp . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.651 -0.69 . . . . 21.170000000000002 110.158 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.046 0.86 . . . . 7.0199999999999996 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.435 " H3'" ' N ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-N19 109.341 1.926 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 P-O5'-C5' 118.224 -1.673 . . . . 5.9000000000000004 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O3'-P-O5' 100.439 -1.874 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C1'-N19 108.921 1.401 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 109.378 1.973 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 O4'-C1'-N19 109.454 2.067 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O4'-C1'-N19 109.24 1.799 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.4 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O3'-P-O5' 100.876 -1.644 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.414 ' C8 ' ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-N19 108.922 1.402 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.414 ' H72' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.42 -0.817 0 O4'-C1'-N19 109.992 2.74 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.425 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O3'-P-O5' 99.292 -2.478 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.425 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O3'-P-O5' 100.276 -1.96 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.03 0 O3'-P-O5' 100.533 -1.825 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 O4'-C1'-N19 109.247 1.808 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-N19 109.332 1.915 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-N19 108.914 1.393 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-C2' 107.179 0.981 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.533 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-N19 108.915 1.394 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.608 " H3'" ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-N19 109.267 1.834 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.462 H2'' ' OP2' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.064 0 O4'-C1'-N19 109.607 2.259 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.495 ' C7 ' HH12 ' B' ' 22' ' ' ARG . . . . . . . . 0 O5'--C5' 1.431 -0.541 0 O3'-P-O5' 100.014 -2.098 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . 0.413 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 108.928 1.41 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-N19 109.48 2.1 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 O4'-C1'-N19 109.577 2.222 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.414 " C2'" ' H72' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O3'-P-O5' 100.512 -1.836 . . . . 7.7699999999999996 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.42 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O3'-P-O5' 100.591 -1.794 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . 0.441 ' C8 ' ' H72' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-N19 109.034 1.543 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . 0.449 " H2'" ' OH ' ' A' ' 17' ' ' TYR . . . . . . . . 0 O3'--C3' 1.419 -0.91 0 O4'-C1'-N19 109.944 2.68 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . 0.559 ' OP1' ' HD2' ' A' ' 51' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O3'-P-O5' 100.078 -2.064 . . . . 4.5800000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . 0.42 " C2'" ' H72' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O3'-P-O5' 100.282 -1.957 . . . . 5.6500000000000004 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.42 ' H72' " C2'" ' D' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O3'-P-O5' 100.629 -1.774 . . . . 7.2400000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O3'-P-O5' 100.89 -1.637 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-N19 109.146 1.682 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O3'-P-O5' 101.583 -1.272 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 107.01 0.827 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.788 -0.449 . . . . 8.1099999999999994 109.788 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -130.61 136.66 29.3 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.745 0.307 . . . . 7.29 110.211 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.775 ' HG3' ' HB3' ' A' ' 50' ' ' ASN . 43.2 Cg_endo -92.4 -153.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.006 2.471 . . . . 4.3700000000000001 112.106 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.664 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 25.5 t -100.63 147.52 7.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 122.006 0.908 . . . . 3.4500000000000002 112.09 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.1 p -122.4 162.87 20.81 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 105.796 -1.927 . . . . 3.5499999999999998 105.796 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.61 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.7 mt -59.21 -23.45 62.29 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 119.542 -0.863 . . . . 2.8500000000000001 111.151 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -65.22 -39.38 92.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.714 0.769 . . . . 4.3899999999999997 110.023 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.658 ' HB2' HG13 ' A' ' 4' ' ' VAL . 41.0 m-20 -66.07 -44.42 84.52 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.441 -1.254 . . . . 4.1299999999999999 109.818 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.543 HG13 ' HB3' ' A' ' 41' ' ' ALA . 91.2 t -68.07 -41.19 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 CA-C-N 115.536 -0.757 . . . . 2.9100000000000001 109.227 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.19 -48.11 81.36 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.577 -1.192 . . . . 3.1400000000000001 111.256 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.71 -48.42 63.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.958 -0.564 . . . . 5.2400000000000002 109.494 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.785 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.3 t80 -60.65 -27.76 68.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 3.8199999999999998 111.6 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.446 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.54 -27.87 27.05 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.691 0.758 . . . . 2.8700000000000001 109.539 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.74 34.46 9.12 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 114.75 -1.114 . . . . 3.2799999999999998 110.997 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.842 HG11 HG23 ' A' ' 34' ' ' THR . 4.5 m -139.33 146.88 24.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.395 -0.902 . . . . 3.3900000000000001 109.938 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 m -55.68 151.95 10.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.6 0.714 . . . . 4.3399999999999999 110.478 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.603 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.0 t80 -54.1 -50.89 65.82 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.625 -1.17 . . . . 3.71 111.372 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.421 ' HG2' ' N6 ' ' C' ' 6' ' ' ' DA' . 0.5 OUTLIER -58.8 -27.61 65.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.008 -0.997 . . . . 5.5 111.572 -179.626 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.2 m -67.28 -61.69 1.79 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.435 -0.348 . . . . 3.6499999999999999 111.077 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.668 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -65.74 -28.85 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 2.8500000000000001 111.861 -178.177 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.0 m -56.96 -45.25 82.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.084 0.469 . . . . 3.1899999999999999 109.807 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.427 ' HG3' ' HB2' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -70.79 -28.79 64.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.362 -0.607 . . . . 4.4400000000000004 109.362 178.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 19' ' ' THR . 91.4 t -68.05 -43.36 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 114.924 -1.035 . . . . 2.9100000000000001 110.151 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.93 -22.1 30.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-O 121.512 0.672 . . . . 2.7200000000000002 109.56 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.487 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 5.5 m-80 -93.37 -1.48 55.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.554 -0.748 . . . . 3.6800000000000002 109.978 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 85.9 mt-30 84.42 -48.95 0.11 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.518 -1.219 . . . . 6.0800000000000001 110.62 177.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.427 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . . . 61.21 -101.42 0.11 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.677 -0.692 . . . . 4.6299999999999999 111.194 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 p -175.55 -59.73 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.843 0.354 . . . . 5.0899999999999999 111.882 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.532 ' HB3' ' OP2' ' C' ' 2' ' ' ' DG' . 35.0 m-70 -87.93 -121.27 0.04 OUTLIER 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.124 0.416 . . . . 5.7999999999999998 112.124 -178.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.413 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 23.7 t 72.15 151.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 123.588 0.755 . . . . 4.2300000000000004 109.785 -178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.72 154.9 28.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.334 0.588 . . . . 3.6600000000000001 111.876 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.16 -66.48 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.759 -1.109 . . . . 3.2799999999999998 112.257 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -55.11 -29.08 56.92 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 112.691 0.626 . . . . 4.5899999999999999 112.691 -178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.842 HG23 HG11 ' A' ' 15' ' ' VAL . 61.6 m -70.78 -43.19 69.24 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 120.911 -0.316 . . . . 2.8599999999999999 111.313 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 38' ' ' VAL . 15.9 mtm180 -67.33 -38.21 84.53 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 108.472 -0.936 . . . . 4.1600000000000001 108.472 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -67.62 -30.58 70.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.6 -1.182 . . . . 3.5499999999999998 109.738 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.17 -46.75 55.08 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.877 -0.601 . . . . 2.8399999999999999 110.0 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 34' ' ' THR . 1.3 m -65.84 -46.23 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 108.898 -0.778 . . . . 2.2599999999999998 108.898 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 13.3 mt-10 -60.2 -40.62 90.72 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.714 -0.676 . . . . 3.27 109.657 178.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.802 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -63.16 -55.34 26.02 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.653 -0.869 . . . . 2.8599999999999999 108.653 177.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.785 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.37 -51.26 47.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.82 0.674 . . . . 2.8900000000000001 112.82 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.427 ' HE3' ' O ' ' A' ' 38' ' ' VAL . 13.0 ptp -65.34 -32.14 73.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.677 -0.409 . . . . 2.8799999999999999 110.204 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.63 -46.36 59.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.841 0.353 . . . . 3.6000000000000001 110.972 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.802 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.2 mm-40 -66.14 -44.46 84.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.824 -0.625 . . . . 4.0899999999999999 110.283 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 11.1 mt -80.45 -0.48 37.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.785 -0.643 . . . . 3.71 110.193 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.6 t30 71.49 -42.73 0.54 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.874 0.87 . . . . 4.1799999999999997 110.903 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.664 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 1.2 t80 53.88 83.26 0.07 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.763 0.792 . . . . 3.1000000000000001 110.495 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.468 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -114.28 128.7 25.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 114.987 -1.006 . . . . 3.7000000000000002 111.032 -178.596 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 7.4 Cg_exo -73.27 111.71 3.35 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.856 2.371 . . . . 3.6000000000000001 110.783 178.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.775 ' HB3' ' HG3' ' A' ' 3' ' ' PRO . 10.6 t-20 -97.68 -69.62 0.75 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.437 -0.347 . . . . 5.1399999999999997 111.517 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 61.0 22.94 13.14 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 111.959 0.355 . . . . 9.0 111.959 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.611 ' SG ' ' HG2' ' B' ' 51' ' ' ARG . 99.4 m -112.64 97.64 6.71 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 122.308 1.051 . . . . 5.8700000000000001 109.05 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.2 96.78 0.08 Allowed 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 113.298 -1.773 . . . . 7.9500000000000002 111.823 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -94.1 -76.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.99 -0.55 . . . . 10.550000000000001 110.126 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -84.58 6.81 22.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.845 -0.616 . . . . 13.16 110.442 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.7 mt -93.46 11.56 28.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.001 -0.545 . . . . 12.140000000000001 110.23 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.77 12.36 22.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.005 -0.543 . . . . 14.140000000000001 111.099 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.74 166.1 20.94 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.656 -0.783 . . . . 16.039999999999999 112.489 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt 63.54 36.59 11.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.118 0.485 . . . . 17.800000000000001 111.256 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -77.88 -13.76 59.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.737 -0.665 . . . . 19.609999999999999 110.893 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.16 63.43 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 20.57 110.99 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.097 -0.501 . . . . 21.890000000000001 110.856 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.4 mtt . . . . . 0 C--O 1.233 0.212 0 CA-C-O 121.556 0.693 . . . . 10.35 109.358 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.762 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 50.0 mtpt -112.82 -55.06 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 114.99 -1.005 . . . . 8.3300000000000001 109.78 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.762 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 83.5 Cg_endo -97.13 -159.96 0.05 OUTLIER 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.778 2.319 . . . . 4.4900000000000002 112.52 178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.6 HG13 ' HB2' ' B' ' 8' ' ' ASP . 63.9 t -63.39 144.75 14.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.993 0.902 . . . . 3.1600000000000001 111.916 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.0 p -107.27 157.03 18.24 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 105.841 -1.911 . . . . 3.1699999999999999 105.841 176.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 1.015 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 0.9 OUTLIER -61.1 -20.25 62.41 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 118.731 -1.188 . . . . 2.5600000000000001 109.339 178.53 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.35 -38.2 90.2 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.761 -1.109 . . . . 4.2800000000000002 109.807 177.413 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.6 ' HB2' HG13 ' B' ' 4' ' ' VAL . 9.4 m-20 -65.44 -44.65 86.61 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 113.928 -1.487 . . . . 3.77 109.679 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' B' ' 42' ' ' MET . 76.8 t -67.74 -41.76 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-N 115.245 -0.888 . . . . 2.6800000000000002 109.628 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.471 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.02 -47.13 87.12 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.324 -1.307 . . . . 3.1299999999999999 111.413 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.4 -48.14 76.52 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.817 -0.629 . . . . 5.21 109.328 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.825 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 42.8 t80 -61.56 -27.11 68.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.955 -1.02 . . . . 3.6200000000000001 111.45 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.712 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -85.93 -25.87 25.85 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.515 0.674 . . . . 2.9399999999999999 109.708 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.19 32.37 12.4 Favored Glycine 0 CA--C 1.5 -0.861 0 CA-C-N 114.863 -1.062 . . . . 3.6600000000000001 111.077 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.631 ' HB ' HG21 ' B' ' 19' ' ' THR . 5.1 m -141.83 150.82 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.073 -1.064 . . . . 3.5299999999999998 111.389 -177.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.451 ' HB2' ' OG1' ' B' ' 19' ' ' THR . 16.0 m -49.7 155.89 0.76 Allowed 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.78 0.8 . . . . 4.3799999999999999 110.472 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.814 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.4 t80 -53.41 -58.43 7.13 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 114.664 -1.153 . . . . 3.6200000000000001 109.393 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.909 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.347 0.0 OUTLIER -79.73 21.57 0.52 Allowed 'General case' 0 C--O 1.261 1.66 0 N-CA-C 114.172 1.175 . . . . 5.04 114.172 177.397 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.631 HG21 ' HB ' ' B' ' 15' ' ' VAL . 100.0 m -79.98 -60.63 2.26 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 101.284 -3.599 . . . . 3.7799999999999998 101.284 169.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.806 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.5 m -73.78 -31.85 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-N 111.866 -2.425 . . . . 2.9300000000000002 113.073 176.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.909 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 48.4 t -64.47 -35.58 81.4 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 121.689 -0.632 . . . . 3.23 109.36 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.668 ' HB3' ' HB2' ' B' ' 27' ' ' ALA . 34.9 mtp180 -64.04 -38.97 93.01 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 106.226 -1.768 . . . . 5.4000000000000004 106.226 176.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.762 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 93.1 t -58.59 -51.9 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 114.227 -1.352 . . . . 3.1800000000000002 108.756 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 51.2 t -68.05 -14.29 18.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 114.721 -1.127 . . . . 3.1200000000000001 111.544 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 3.8 m-80 -105.85 8.8 32.89 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 121.345 -0.847 . . . . 4.0700000000000003 111.199 -177.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 28.7 mm-40 72.87 61.27 0.11 Allowed 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 122.118 0.961 . . . . 6.0300000000000002 109.075 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.668 ' HB2' ' HB3' ' B' ' 22' ' ' ARG . . . -65.13 127.08 30.17 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 113.966 -1.47 . . . . 4.4800000000000004 110.662 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.1 p -71.33 -21.54 62.04 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.594 0.59 . . . . 5.6900000000000004 112.594 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -142.33 96.55 2.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 112.178 0.436 . . . . 6.5300000000000002 112.178 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 m -144.04 169.76 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.422 -0.808 . . . . 4.4299999999999997 109.291 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.574 ' O ' ' HD3' ' B' ' 35' ' ' ARG . 0.3 OUTLIER -99.79 159.46 15.04 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.437 -0.505 . . . . 3.96 111.881 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.33 -67.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.355 -0.838 . . . . 3.3100000000000001 113.235 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' B' ' 33' ' ' LYS . 0.5 OUTLIER -44.9 -50.03 10.65 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 112.65 0.611 . . . . 4.9000000000000004 112.65 -178.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 34' ' ' THR . . . . . 1.017 ' HA ' ' HD2' ' B' ' 37' ' ' LYS . 25.9 m -49.9 -43.67 49.63 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.773 -0.649 . . . . 3.1299999999999999 111.58 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.574 ' HD3' ' O ' ' B' ' 31' ' ' SER . 11.2 mtp180 -65.46 -39.75 92.39 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.473 -0.565 . . . . 3.9100000000000001 109.473 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -67.64 -32.65 73.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.279 -0.873 . . . . 2.9399999999999999 110.463 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 1.017 ' HD2' ' HA ' ' B' ' 34' ' ' THR . 2.4 ptmt -72.99 -43.38 62.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 3.1000000000000001 110.105 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.806 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -69.77 -41.93 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.147 -0.686 . . . . 2.3300000000000001 109.147 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 5.1 mt-10 -58.85 -42.69 89.94 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.444 -0.798 . . . . 3.0 109.069 177.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.605 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.98 -52.77 61.71 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 109.033 -0.728 . . . . 2.6499999999999999 109.033 177.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.825 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.98 -51.48 56.93 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 113.173 0.805 . . . . 2.6800000000000002 113.173 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.494 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.1 ptp -64.84 -32.33 73.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.585 0.231 . . . . 2.7400000000000002 110.503 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.46 -42.59 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 3.4300000000000002 111.333 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.8 mm-40 -69.22 -43.88 73.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.374 0.607 . . . . 3.8100000000000001 110.621 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt -80.92 1.12 32.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.254 -0.885 . . . . 3.4700000000000002 110.776 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.539 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 5.5 t-20 78.44 -56.44 0.47 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.835 0.709 . . . . 4.3899999999999997 110.909 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 1.015 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 4.4 t80 47.0 95.71 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.932 0.77 . . . . 2.9700000000000002 112.101 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.18 155.8 91.39 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.664 -0.698 . . . . 3.9700000000000002 111.693 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -91.89 127.34 0.97 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.678 2.919 . . . . 3.6600000000000001 112.6 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -148.03 93.52 2.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.384 -0.371 . . . . 5.1100000000000003 110.186 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.611 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 39.4 ttt180 -170.01 -80.61 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.926 -0.579 . . . . 8.3200000000000003 110.009 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 60.3 m -138.19 100.64 4.19 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.286 0.565 . . . . 6.1200000000000001 109.776 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 63.74 -100.2 0.08 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.132 -1.395 . . . . 7.4400000000000004 111.722 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -159.95 -161.94 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.755 -0.461 . . . . 10.52 109.755 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.464 ' HG3' ' HG ' ' B' ' 56' ' ' LEU . 10.0 pt20 -66.58 -12.88 59.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.983 0.42 . . . . 12.48 111.192 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.464 ' HG ' ' HG3' ' B' ' 55' ' ' GLN . 86.9 mt -113.02 74.44 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.307 -0.406 . . . . 11.92 110.346 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.78 3.64 12.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.941 -0.572 . . . . 12.460000000000001 110.82 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -147.86 130.35 3.48 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.877 -0.677 . . . . 14.220000000000001 112.076 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' B' ' 62' ' ' LEU . 60.2 tttp -151.14 124.05 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.985 -0.376 . . . . 16.629999999999999 109.985 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.48 ' HB3' ' H ' ' B' ' 61' ' ' SER . 5.2 tm0? -140.39 -87.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.778 0.323 . . . . 18.329999999999998 111.125 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.48 ' H ' ' HB3' ' B' ' 60' ' ' GLN . 0.5 OUTLIER -91.17 16.24 10.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.318 -0.401 . . . . 19.620000000000001 111.86 -178.676 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.473 ' O ' ' HG3' ' B' ' 59' ' ' LYS . 27.5 tp . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.1 -0.952 . . . . 21.170000000000002 109.825 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.47 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.579 0 O4'-C1'-N19 108.662 1.078 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.532 ' OP2' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.421 -1.191 0 O4'-C1'-N19 109.496 2.12 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O3'-P-O5' 100.945 -1.608 . . . . 5.9000000000000004 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O3'-P-O5' 100.764 -1.703 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-N19 108.924 1.405 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . 0.421 ' N6 ' ' HG2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-N19 109.412 2.015 . . . . 7.7999999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-N19 109.595 2.243 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.428 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 109.315 1.894 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.444 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O3'-P-O5' 101.188 -1.48 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.455 ' C8 ' ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-N19 109.068 1.585 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.455 ' H72' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 110.017 2.771 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O3'-P-O5' 99.517 -2.359 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.412 " C2'" ' H72' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.421 -0.8 0 O3'-P-O5' 99.861 -2.178 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.412 ' H72' " C2'" ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.153 0 C5'-C4'-C3' 112.023 -1.785 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 O3'-P-O5' 100.951 -1.605 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O3'-P-O5' 100.531 -1.826 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O3'-P-O5' 101.416 -1.36 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 N19-C1'-C2' 115.684 0.927 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.52 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-N19 108.539 0.924 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.428 H2'' ' OP2' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C1'-N19 109.649 2.311 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.492 H2'' ' OP2' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-N19 109.627 2.284 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.492 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.523 -0.528 0 O3'-P-O5' 100.421 -1.884 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . 0.407 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-N19 108.815 1.269 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 109.517 2.146 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-N19 109.523 2.154 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C1'-N19 109.256 1.82 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.421 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O3'-P-O5' 100.745 -1.713 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . 0.421 ' C8 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-N19 108.907 1.384 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C1'-N19 109.875 2.594 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O3'-P-O5' 100.216 -1.992 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . 0.423 " C2'" ' H72' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O3'-P-O5' 100.147 -2.028 . . . . 5.6500000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.423 ' H72' " C2'" ' D' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.033 0 O3'-P-O5' 100.699 -1.737 . . . . 7.2400000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C1'-N19 109.142 1.677 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-N19 109.159 1.699 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O3'-P-O5' 101.34 -1.4 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C4'-C3'-C2' 102.347 -0.853 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 tmm? . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.644 0.259 . . . . 8.1099999999999994 110.423 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 65.6 mttt -103.63 145.85 31.39 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 110.178 -0.305 . . . . 7.29 110.178 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 12.5 Cg_exo -72.2 179.2 5.18 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.154 2.569 . . . . 4.3700000000000001 113.163 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.875 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 87.0 t -107.53 151.29 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.157 -0.929 . . . . 3.4500000000000002 111.058 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.1 p -113.26 163.44 14.8 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 106.697 -1.594 . . . . 3.5499999999999998 106.697 176.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.731 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 3.1 mt -59.98 -24.23 64.26 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 119.108 -1.037 . . . . 2.8500000000000001 111.195 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -64.87 -39.95 94.35 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.87 0.843 . . . . 4.3899999999999997 110.649 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.772 ' HB2' HG13 ' A' ' 4' ' ' VAL . 47.3 m-20 -65.66 -43.45 89.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 113.999 -1.455 . . . . 4.1299999999999999 110.178 -177.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.462 HG13 ' HB3' ' A' ' 41' ' ' ALA . 78.9 t -68.8 -41.99 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.64 0.733 . . . . 2.9100000000000001 109.052 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.622 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -56.74 -48.89 76.76 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.318 -1.31 . . . . 3.1400000000000001 111.498 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.33 -49.23 70.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 115.659 -0.701 . . . . 5.2400000000000002 109.547 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.755 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.4 t80 -61.94 -29.92 70.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 3.8199999999999998 111.654 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -79.92 -27.12 39.92 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.73 0.776 . . . . 2.8700000000000001 109.265 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.8 33.02 10.27 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.624 -1.171 . . . . 3.2799999999999998 110.488 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.64 HG11 HG23 ' A' ' 34' ' ' THR . 4.5 m -139.27 145.7 26.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 114.055 -1.072 . . . . 3.3900000000000001 109.858 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -56.26 152.39 11.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.76 0.79 . . . . 4.3399999999999999 110.737 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.637 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.9 t80 -52.82 -51.12 62.09 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.379 -1.282 . . . . 3.71 111.618 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.98 -22.98 63.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.107 -0.951 . . . . 5.5 111.878 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.601 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.4 m -70.54 -62.17 1.49 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.406 -0.361 . . . . 3.6499999999999999 110.776 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.622 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.12 -29.8 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.56 0.578 . . . . 2.8500000000000001 112.56 -178.53 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -58.14 -42.34 85.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.258 0.551 . . . . 3.1899999999999999 109.76 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.532 ' HG2' ' HA ' ' A' ' 27' ' ' ALA . 2.2 ttm180 -70.03 -30.75 68.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.967 -0.753 . . . . 4.4400000000000004 108.967 178.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.991 HG11 HG21 ' A' ' 38' ' ' VAL . 74.3 t -65.25 -47.79 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.925 -1.034 . . . . 2.9100000000000001 109.721 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.74 -20.98 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.572 -0.74 . . . . 2.7200000000000002 110.096 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.627 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -85.3 -12.41 52.4 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.834 -0.346 . . . . 3.6800000000000002 111.388 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.627 ' HB3' ' O ' ' A' ' 25' ' ' ASN . 1.5 pt20 131.7 -23.11 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 125.82 1.648 . . . . 6.0800000000000001 110.476 177.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.844 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 67.58 -175.29 0.19 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.731 -0.668 . . . . 4.6299999999999999 111.689 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 p -162.71 -60.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.158 0.504 . . . . 5.0899999999999999 110.853 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.5 90.62 3.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.217 0.532 . . . . 5.7999999999999998 109.651 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.55 156.81 8.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 114.789 -1.096 . . . . 4.2300000000000004 109.458 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.412 ' N ' " H3'" ' C' ' 2' ' ' ' DG' . 54.0 m -76.86 169.36 18.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.064 0.459 . . . . 3.6600000000000001 110.998 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.3 -58.39 4.9 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.693 -0.685 . . . . 3.2799999999999998 110.587 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -53.73 -28.81 36.35 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.406 0.441 . . . . 4.5899999999999999 111.829 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.686 ' O ' HG13 ' A' ' 38' ' ' VAL . 6.6 m -63.78 -51.45 64.75 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 116.818 -0.173 . . . . 2.8599999999999999 111.349 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 21.8 mtm180 -64.78 -37.35 87.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.844 0.354 . . . . 4.1600000000000001 110.082 -178.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.97 -30.56 70.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.628 -0.715 . . . . 3.5499999999999998 109.795 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -76.82 -45.72 27.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.843 -0.617 . . . . 2.8399999999999999 110.439 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.991 HG21 HG11 ' A' ' 23' ' ' VAL . 2.3 m -64.3 -46.44 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.213 -0.662 . . . . 2.2599999999999998 109.213 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 4.7 mt-10 -58.7 -42.63 89.03 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.611 -0.722 . . . . 3.27 109.412 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.4 26.0 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.348 -0.612 . . . . 2.8599999999999999 109.348 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.755 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.56 -51.49 47.61 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 113.455 0.909 . . . . 2.8900000000000001 113.455 -178.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.42 ' HA ' HG22 ' A' ' 9' ' ' VAL . 16.5 ptp -64.37 -31.83 73.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.991 -0.374 . . . . 2.8799999999999999 109.991 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.68 -47.36 47.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 3.6000000000000001 111.186 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -44.52 80.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.682 -0.69 . . . . 4.0899999999999999 110.961 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.2 mt -81.12 -1.54 44.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.183 -0.462 . . . . 3.71 110.627 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 32.9 t30 72.97 -40.11 0.47 Allowed 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.845 0.716 . . . . 4.1799999999999997 109.736 -178.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.875 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 0.8 OUTLIER 70.63 -64.52 0.37 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.219 1.008 . . . . 3.1000000000000001 110.689 178.703 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 48' ' ' ILE . 9.9 tp 35.27 90.47 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 124.235 1.014 . . . . 3.7000000000000002 113.479 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -72.8 116.62 4.79 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.724 2.283 . . . . 3.6000000000000001 112.173 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -65.68 -17.05 64.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.25 0.548 . . . . 5.1399999999999997 110.718 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -105.36 12.79 31.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.501 . . . . 9.0 111.227 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' B' ' 51' ' ' ARG . 3.5 m -161.26 105.67 1.32 Allowed 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.374 0.607 . . . . 5.8700000000000001 110.306 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.596 ' HB1' ' HB3' ' B' ' 57' ' ' ALA . . . -64.25 95.07 0.12 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.796 -1.093 . . . . 7.9500000000000002 111.342 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 11.8 mm100 -131.86 147.37 52.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.74 -0.664 . . . . 10.550000000000001 109.369 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 11.4 mt-30 77.77 -23.09 0.26 Allowed 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.949 0.78 . . . . 13.16 111.614 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.7 tp -72.95 94.04 1.8 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.905 0.383 . . . . 12.140000000000001 110.958 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.76 -87.89 0.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.915 -0.584 . . . . 14.140000000000001 110.153 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.32 -65.81 2.68 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 121.223 -0.513 . . . . 16.039999999999999 113.526 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -106.64 -69.17 0.84 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.955 0.407 . . . . 17.800000000000001 110.781 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -140.02 173.34 11.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.022 -0.536 . . . . 19.609999999999999 109.626 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 m -150.88 173.83 13.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.42 0.152 . . . . 20.57 110.758 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 N--CA 1.465 0.298 0 O-C-N 123.695 0.622 . . . . 21.890000000000001 111.209 179.82 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 C--O 1.233 0.22 0 CA-C-O 121.011 0.434 . . . . 10.35 110.792 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -92.9 127.09 49.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.915 -0.584 . . . . 8.3300000000000001 109.9 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.76 -40.34 85.78 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.993 2.462 . . . . 4.4900000000000002 113.413 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.661 HG13 ' HB2' ' B' ' 8' ' ' ASP . 27.7 t -144.1 142.17 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 122.169 0.985 . . . . 3.1600000000000001 112.184 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.605 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.3 OUTLIER -114.24 157.89 22.11 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 105.7 -1.963 . . . . 3.1699999999999999 105.7 176.129 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.952 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.1 mt -60.6 -19.3 57.38 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.878 -1.129 . . . . 2.5600000000000001 110.168 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.401 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.2 OUTLIER -65.74 -38.77 90.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.704 -1.135 . . . . 4.2800000000000002 110.346 177.338 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.661 ' HB2' HG13 ' B' ' 4' ' ' VAL . 19.8 m-20 -66.4 -42.13 88.31 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 114.828 -1.078 . . . . 3.77 109.961 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' B' ' 42' ' ' MET . 78.5 t -66.89 -41.31 87.44 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 CA-C-O 121.945 0.878 . . . . 2.6800000000000002 109.047 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' B' ' 15' ' ' VAL . . . -61.21 -46.71 89.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.039 -1.437 . . . . 3.1299999999999999 111.426 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -66.23 -47.88 72.35 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.092 -0.707 . . . . 5.21 109.092 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.774 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 53.1 t80 -60.51 -28.65 68.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.149 -0.932 . . . . 3.6200000000000001 111.008 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.23 -26.39 25.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.571 0.7 . . . . 2.9399999999999999 109.191 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 31.99 12.9 Favored Glycine 0 CA--C 1.504 -0.601 0 CA-C-N 114.551 -1.204 . . . . 3.6600000000000001 111.457 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.782 ' HB ' HG21 ' B' ' 19' ' ' THR . 12.1 m -140.39 151.11 21.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-N 114.616 -0.792 . . . . 3.5299999999999998 111.449 -176.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.451 ' O ' ' HB ' ' B' ' 19' ' ' THR . 2.0 p -52.48 162.29 0.57 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 121.577 0.703 . . . . 4.3799999999999999 110.892 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.849 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 75.4 t80 -55.9 -60.72 3.06 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.271 -1.331 . . . . 3.6200000000000001 111.701 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.937 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.276 0.0 OUTLIER -70.36 -3.15 16.06 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 124.489 1.118 . . . . 5.04 110.888 172.731 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.782 HG21 ' HB ' ' B' ' 15' ' ' VAL . 98.9 m -62.34 -60.4 3.61 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 102.076 -3.305 . . . . 3.7799999999999998 102.076 169.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.982 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.1 m -76.88 -36.9 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 114.553 1.316 . . . . 2.9300000000000002 114.553 177.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.937 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 43.3 t -57.8 -37.41 73.7 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.898 -0.501 . . . . 3.23 109.783 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.693 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.9 OUTLIER -65.55 -32.27 73.78 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 107.212 -1.403 . . . . 5.4000000000000004 107.212 177.311 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 1.013 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 53.9 t -66.23 -51.71 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 114.186 -1.37 . . . . 3.1800000000000002 109.538 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.88 -20.87 28.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 114.469 -1.241 . . . . 3.1200000000000001 111.777 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.53 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 2.6 m-80 -93.63 -11.38 31.8 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.033 -0.667 . . . . 4.0700000000000003 112.504 -177.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.53 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 1.1 pt20 156.7 -38.9 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 O-C-N 123.909 0.756 . . . . 6.0300000000000002 111.42 178.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 1.013 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 57.82 55.43 5.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.533 -0.758 . . . . 4.4800000000000004 111.384 -178.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -18.81 64.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.707 -0.678 . . . . 5.6900000000000004 111.399 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.665 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 75.3 m-70 -142.07 92.58 2.45 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 109.505 -0.554 . . . . 6.5300000000000002 109.505 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.648 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 12.3 m -149.5 174.48 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.691 0.282 . . . . 4.4299999999999997 111.105 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -103.96 -178.25 3.6 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.129 -0.487 . . . . 3.96 110.844 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.63 -74.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.925 -0.579 . . . . 3.3100000000000001 112.493 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -49.85 -35.97 25.19 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.534 0.568 . . . . 4.9000000000000004 112.534 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.721 ' O ' HG13 ' B' ' 38' ' ' VAL . 5.4 m -54.27 -50.79 66.43 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 111.684 0.253 . . . . 3.1299999999999999 111.684 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -60.9 -39.31 88.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.282 0.563 . . . . 3.9100000000000001 110.247 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.28 -37.06 80.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.173 -0.921 . . . . 2.9399999999999999 111.412 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -72.99 -44.21 61.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.33 -0.396 . . . . 3.1000000000000001 111.169 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.982 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -67.31 -46.24 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.802 -0.444 . . . . 2.3300000000000001 109.802 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.418 ' HA ' ' HG2' ' B' ' 42' ' ' MET . 1.4 mt-10 -62.79 -37.65 87.54 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.274 -0.639 . . . . 3.0 109.274 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.18 -55.71 29.08 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 108.252 -1.018 . . . . 2.6499999999999999 108.252 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.774 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.48 -51.38 47.62 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.612 -0.722 . . . . 2.6800000000000002 112.734 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.457 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.9 ptp -65.14 -32.59 74.35 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.769 -0.372 . . . . 2.7400000000000002 110.31 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.39 66.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.042 0.449 . . . . 3.4300000000000002 111.174 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.448 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.8 OUTLIER -67.75 -43.73 79.19 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.726 -0.67 . . . . 3.8100000000000001 110.21 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt -80.39 -0.39 36.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.574 -0.739 . . . . 3.4700000000000002 110.295 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 32.7 t30 73.63 -47.25 0.65 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.578 0.751 . . . . 4.3899999999999997 110.204 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.952 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 3.4 t80 48.42 70.14 0.48 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.316 -0.857 . . . . 2.9700000000000002 112.457 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 6.3 tp -76.02 134.28 71.52 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 115.361 -0.836 . . . . 3.9700000000000002 110.195 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.62 40.0 0.93 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.894 2.396 . . . . 3.6600000000000001 112.739 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -83.64 74.84 10.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.625 -0.716 . . . . 5.1100000000000003 110.899 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.457 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -82.0 -30.82 31.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.55 -0.75 . . . . 8.3200000000000003 109.786 178.388 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 90.2 m -138.95 102.14 4.47 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.928 0.87 . . . . 6.1200000000000001 109.303 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.97 110.46 5.69 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 113.839 -1.528 . . . . 7.4400000000000004 112.12 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -168.54 -70.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.639 -0.709 . . . . 10.52 109.596 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -119.81 -35.77 3.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.184 -0.462 . . . . 12.48 110.493 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 19.3 tp 54.86 75.25 0.31 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.709 -0.678 . . . . 11.92 111.724 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.596 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . . . -78.85 -15.1 58.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.084 -0.507 . . . . 12.460000000000001 110.807 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.92 -72.73 2.68 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.098 -0.572 . . . . 14.220000000000001 112.616 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -84.8 110.78 19.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.865 0.364 . . . . 16.629999999999999 110.697 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -36.97 13.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.067 -0.515 . . . . 18.329999999999998 110.171 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.7 m -94.97 114.76 26.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.132 -0.486 . . . . 19.620000000000001 109.888 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 48.5 tp . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.384 -0.817 . . . . 21.170000000000002 110.269 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.606 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.577 0 O4'-C1'-N19 108.557 0.946 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.412 " H3'" ' N ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O4'-C1'-N19 109.397 1.997 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-N19 109.434 2.042 . . . . 5.9000000000000004 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O3'-P-O5' 101.087 -1.533 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-N19 108.996 1.494 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O4'-C1'-N19 109.532 2.165 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C1'-N19 109.596 2.244 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-N19 109.23 1.787 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.433 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O3'-P-O5' 100.979 -1.59 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.433 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-N19 108.922 1.402 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.605 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-N19 110.062 2.827 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.42 -0.838 0 O3'-P-O5' 99.583 -2.325 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 O3'-P-O5' 100.265 -1.966 . . . . 6.0800000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 O4'-C1'-N19 109.457 2.072 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C1'-N19 109.324 1.905 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O3'-P-O5' 100.58 -1.8 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O3'-P-O5' 101.48 -1.326 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 N19-C1'-C2' 116.01 1.131 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.406 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.586 0 O4'-C1'-N19 108.527 0.909 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.665 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O4'-C1'-N19 109.461 2.076 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.648 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-N19 110.241 3.051 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.503 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O3'-P-O5' 100.277 -1.959 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . 0.44 ' N7 ' ' C2 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-N19 108.772 1.215 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O4'-C1'-N19 109.498 2.122 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-N19 109.502 2.127 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 O4'-C1'-N19 109.317 1.896 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.416 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O3'-P-O5' 100.636 -1.77 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . 0.416 ' C8 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C1'-N19 108.909 1.386 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-N19 109.78 2.475 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O4'-C1'-N19 109.512 2.14 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 O3'-P-O5' 100.353 -1.919 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 O3'-P-O5' 100.698 -1.738 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 O4'-C1'-N19 109.245 1.807 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O4'-C1'-N19 109.258 1.822 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O3'-P-O5' 101.387 -1.375 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 107.048 0.862 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB3' ' H ' ' A' ' 2' ' ' LYS . 6.2 tpt . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.446 0.165 . . . . 8.1099999999999994 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.406 ' H ' ' HB3' ' A' ' 1' ' ' MET . 26.0 ttmt -109.63 126.53 28.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.135 -0.32 . . . . 7.29 110.135 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.46 -55.13 0.11 Allowed 'Trans proline' 0 CA--C 1.518 -0.283 0 C-N-CA 122.816 2.344 . . . . 4.3700000000000001 113.697 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.592 HG13 ' HB2' ' A' ' 8' ' ' ASP . 18.6 t -131.03 144.83 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 122.333 1.063 . . . . 3.4500000000000002 112.791 -178.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.99 159.09 24.49 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 105.71 -1.959 . . . . 3.5499999999999998 105.71 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.054 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.3 mt -58.31 -23.17 55.63 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 119.424 -0.91 . . . . 2.8500000000000001 111.742 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -64.9 -36.64 85.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.591 0.71 . . . . 4.3899999999999997 110.484 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.592 ' HB2' HG13 ' A' ' 4' ' ' VAL . 14.5 m-20 -65.19 -45.06 86.35 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 114.455 -1.248 . . . . 4.1299999999999999 110.573 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 41' ' ' ALA . 92.4 t -68.21 -40.62 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 CA-C-O 121.638 0.733 . . . . 2.9100000000000001 109.207 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.647 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.95 -48.09 82.78 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.44 -1.254 . . . . 3.1400000000000001 111.755 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.19 -48.15 68.81 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.363 -0.606 . . . . 5.2400000000000002 109.363 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.786 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 48.1 t80 -61.53 -28.93 69.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.235 -0.893 . . . . 3.8199999999999998 111.716 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.59 -26.82 29.69 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.907 0.861 . . . . 2.8700000000000001 109.785 -179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.27 35.91 8.51 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.746 -1.115 . . . . 3.2799999999999998 110.676 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.618 HG21 HG12 ' A' ' 38' ' ' VAL . 4.1 m -139.16 146.74 25.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 114.276 -0.962 . . . . 3.3900000000000001 109.959 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -56.28 148.23 19.07 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.548 0.69 . . . . 4.3399999999999999 109.989 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 70.6 t80 -50.63 -51.45 48.78 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 114.72 -1.127 . . . . 3.71 111.89 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -23.76 59.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.238 -0.892 . . . . 5.5 111.977 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 23' ' ' VAL . 19.0 m -69.58 -63.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.673 -0.24 . . . . 3.6499999999999999 110.552 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.647 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -69.43 -30.11 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.313 -0.403 . . . . 2.8500000000000001 111.943 -179.024 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.546 ' HA ' HD13 ' A' ' 6' ' ' LEU . 28.9 t -58.24 -47.74 82.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.299 -0.63 . . . . 3.1899999999999999 109.299 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.717 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -70.6 -23.82 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.631 -0.713 . . . . 4.4400000000000004 109.56 179.389 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 38' ' ' VAL . 21.2 t -64.94 -50.94 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.711 -0.848 . . . . 2.9100000000000001 108.711 178.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -66.96 -21.08 27.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.478 -0.783 . . . . 2.7200000000000002 111.013 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.643 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 12.4 m-80 -101.25 14.56 31.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.224 0.454 . . . . 3.6800000000000002 112.224 -178.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.643 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 13.6 mm-40 88.59 98.29 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 O-C-N 124.329 1.018 . . . . 6.0800000000000001 110.448 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.717 ' HB2' ' HG2' ' A' ' 22' ' ' ARG . . . -115.53 127.69 55.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.621 -1.172 . . . . 4.6299999999999999 111.31 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.4 p -95.12 -38.43 10.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.963 -0.562 . . . . 5.0899999999999999 111.42 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.436 ' HA ' ' OP2' ' C' ' 2' ' ' ' DG' . 94.5 m-70 -102.22 79.68 1.89 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.075 -0.511 . . . . 5.7999999999999998 110.758 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -146.97 139.39 19.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.19 -0.913 . . . . 4.2300000000000004 110.238 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.41 ' N ' " H3'" ' C' ' 2' ' ' ' DG' . 5.4 m -70.88 164.4 25.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.086 0.469 . . . . 3.6600000000000001 111.596 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.643 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -63.68 -60.4 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.379 -0.828 . . . . 3.2799999999999998 110.15 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -49.75 -35.73 23.26 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.879 0.737 . . . . 4.5899999999999999 111.733 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.746 ' O ' HG13 ' A' ' 38' ' ' VAL . 3.6 m -60.98 -50.74 72.15 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.515 -0.311 . . . . 2.8599999999999999 111.175 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HA ' HG22 ' A' ' 38' ' ' VAL . 10.9 mtt180 -65.42 -34.19 77.7 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.271 -0.64 . . . . 4.1600000000000001 109.271 -178.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.643 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 30.7 mt-10 -63.82 -39.49 94.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.252 -0.885 . . . . 3.5499999999999998 110.924 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HE3' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -83.53 -36.94 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.984 -0.686 . . . . 2.8399999999999999 111.578 -179.56 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.914 HG21 HG11 ' A' ' 23' ' ' VAL . 4.5 m -62.19 -46.15 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 108.446 -0.946 . . . . 2.2599999999999998 108.446 178.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 20.7 mt-10 -62.82 -42.2 99.63 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.443 -0.799 . . . . 3.27 109.614 178.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.81 -55.88 28.68 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.812 -0.81 . . . . 2.8599999999999999 108.812 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.786 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.2 -51.65 51.86 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 113.043 0.757 . . . . 2.8900000000000001 113.043 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.413 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.9 ptp -64.41 -31.87 73.25 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.809 -0.356 . . . . 2.8799999999999999 110.415 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.94 -44.78 63.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.064 0.459 . . . . 3.6000000000000001 111.049 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 0.8 OUTLIER -68.05 -44.32 76.66 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.772 -0.649 . . . . 4.0899999999999999 110.611 -179.213 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.4 mt -80.6 -0.32 37.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.644 -0.707 . . . . 3.71 110.405 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t30 73.72 -45.51 0.61 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.571 0.748 . . . . 4.1799999999999997 110.714 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 1.054 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.2 t80 50.72 65.39 1.48 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 122.006 0.908 . . . . 3.1000000000000001 111.108 178.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.467 HG13 ' HD2' ' A' ' 49' ' ' PRO . 2.8 tp -91.45 136.92 26.27 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 114.796 -1.093 . . . . 3.7000000000000002 110.875 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.467 ' HD2' HG13 ' A' ' 48' ' ' ILE . 40.5 Cg_endo -72.27 -59.12 0.06 OUTLIER 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.15 1.9 . . . . 3.6000000000000001 111.923 178.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -179.84 -108.68 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.076 -0.511 . . . . 5.1399999999999997 109.9 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.46 9.6 15.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 9.0 110.334 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 84.8 m -73.65 -31.15 63.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.6 -0.727 . . . . 5.8700000000000001 111.438 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 65.56 -153.16 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.657 -0.701 . . . . 7.9500000000000002 110.394 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -100.88 -53.0 3.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.998 0.428 . . . . 10.550000000000001 110.573 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -107.24 14.63 25.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 13.16 110.653 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.1 tp 59.59 -102.31 0.14 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.486 -0.779 . . . . 12.140000000000001 110.87 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.39 37.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.73 0.3 . . . . 14.140000000000001 110.969 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.19 -68.23 1.75 Allowed Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.883 -0.675 . . . . 16.039999999999999 112.322 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.61 179.1 0.24 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.144 0.577 . . . . 17.800000000000001 111.606 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -68.09 99.15 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.629 -0.714 . . . . 19.609999999999999 110.2 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -96.61 156.44 16.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.024 -0.535 . . . . 20.57 110.579 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 62' ' ' LEU . 2.6 mm? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.445 -0.343 . . . . 21.890000000000001 110.621 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.424 ' H3 ' ' H ' ' B' ' 2' ' ' LYS . 63.7 mtm . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.854 0.359 . . . . 10.35 110.798 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 47.4 mtpt -141.92 130.2 11.9 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-N 116.207 -0.452 . . . . 8.3300000000000001 110.866 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 23.6 Cg_exo -66.05 121.78 9.18 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.162 2.574 . . . . 4.4900000000000002 111.249 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.687 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 72.2 t -141.91 148.9 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.371 0.605 . . . . 3.1600000000000001 111.001 -177.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 31.6 p -106.59 157.18 17.88 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 105.924 -1.88 . . . . 3.1699999999999999 105.924 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 1.135 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.4 mt -61.03 -21.81 63.96 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 118.088 -1.445 . . . . 2.5600000000000001 109.243 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -37.48 87.61 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.586 -1.188 . . . . 4.2800000000000002 110.289 176.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.684 ' HB2' HG13 ' B' ' 4' ' ' VAL . 3.2 m-20 -65.06 -44.6 88.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 114.786 -1.097 . . . . 3.77 109.767 -178.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' B' ' 42' ' ' MET . 88.3 t -67.5 -43.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.42 -0.809 . . . . 2.6800000000000002 109.147 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.522 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.07 -47.15 84.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.1 -1.409 . . . . 3.1299999999999999 111.128 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -64.7 -49.44 70.9 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.633 -0.712 . . . . 5.21 109.58 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.749 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 41.9 t80 -61.2 -28.64 69.29 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.871 -1.059 . . . . 3.6200000000000001 111.299 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -84.1 -26.26 29.1 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.601 0.715 . . . . 2.9399999999999999 109.619 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.33 30.18 17.26 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.189 -0.914 . . . . 3.6600000000000001 111.292 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.536 ' HB ' HG21 ' B' ' 19' ' ' THR . 17.3 m -139.9 150.19 22.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.268 -0.966 . . . . 3.5299999999999998 110.853 -176.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -49.26 161.52 0.17 Allowed 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 121.753 0.787 . . . . 4.3799999999999999 111.208 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.77 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 54.8 t80 -54.4 -68.9 0.15 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.725 -1.125 . . . . 3.6200000000000001 109.545 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 1.0 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -61.63 -1.37 0.57 Allowed 'General case' 0 CA--C 1.485 -1.538 0 C-N-CA 124.358 1.063 . . . . 5.04 112.055 176.647 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.536 HG21 ' HB ' ' B' ' 15' ' ' VAL 0.255 88.9 m -65.8 -59.51 3.81 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 102.339 -3.208 . . . . 3.7799999999999998 102.339 173.232 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.957 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 2.0 m -77.22 -34.7 21.63 Favored 'Isoleucine or valine' 0 C--N 1.384 2.094 0 O-C-N 125.38 1.675 . . . . 2.9300000000000002 113.501 175.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' SER . . . . . 1.0 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 62.1 m -59.72 -37.02 77.75 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.696 -0.627 . . . . 3.23 111.742 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.621 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.1 OUTLIER -66.39 -29.81 70.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.039 -1.467 . . . . 5.4000000000000004 107.039 177.886 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 1.029 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 72.8 t -65.87 -51.7 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 114.41 -1.268 . . . . 3.1800000000000002 108.736 177.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.427 HG21 HD21 ' B' ' 6' ' ' LEU . 88.1 t -68.06 -21.17 26.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 114.548 -1.205 . . . . 3.1200000000000001 111.883 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.608 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 4.9 m-80 -102.29 19.47 18.69 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 122.283 -0.261 . . . . 4.0700000000000003 111.17 -177.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.608 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 78.9 mm-40 94.13 86.22 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 124.656 1.223 . . . . 6.0300000000000002 108.941 177.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 1.029 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -74.26 75.73 1.83 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.459 -1.7 . . . . 4.4800000000000004 112.615 -177.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 21.0 p -76.91 -18.99 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.967 0.413 . . . . 5.6900000000000004 110.623 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.646 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 74.5 m-70 -139.17 85.39 2.06 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.339 -0.391 . . . . 6.5300000000000002 111.475 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.435 ' CG2' ' HB1' ' B' ' 27' ' ' ALA . 46.0 t -149.25 153.8 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 115.783 -0.644 . . . . 4.4299999999999997 109.442 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.501 ' O ' ' HG3' ' B' ' 35' ' ' ARG . 0.1 OUTLIER -79.29 175.45 10.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.851 0.358 . . . . 3.96 111.213 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -70.23 -63.76 1.02 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.072 -0.513 . . . . 3.3100000000000001 112.15 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -50.6 -49.99 55.13 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.552 0.575 . . . . 4.9000000000000004 112.552 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.746 ' O ' HG13 ' B' ' 38' ' ' VAL . 8.4 m -50.91 -46.75 60.84 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.789 -0.641 . . . . 3.1299999999999999 112.13 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' B' ' 31' ' ' SER . 18.3 mtm180 -62.44 -38.66 90.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.867 0.365 . . . . 3.9100000000000001 110.235 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 28.1 mt-10 -67.0 -36.54 82.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.54 -0.755 . . . . 2.9399999999999999 109.841 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -71.23 -46.41 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.727 -0.67 . . . . 3.1000000000000001 111.316 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.957 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.7 m -68.21 -47.82 76.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.697 -0.229 . . . . 2.3300000000000001 110.73 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.423 ' N ' ' CG2' ' B' ' 38' ' ' VAL . 5.6 mt-10 -62.08 -37.08 83.68 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.104 -0.702 . . . . 3.0 109.104 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.62 -55.51 19.78 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 108.463 -0.94 . . . . 2.6499999999999999 108.463 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.749 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -49.77 -51.0 42.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 113.135 0.791 . . . . 2.6800000000000002 113.135 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.491 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.8 ptp -64.57 -32.72 74.49 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.809 -0.357 . . . . 2.7400000000000002 110.382 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.95 -44.66 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 3.4300000000000002 111.093 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.45 -43.47 76.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.686 -0.688 . . . . 3.8100000000000001 110.45 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 10.0 mt -80.49 -0.66 38.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.908 -0.587 . . . . 3.4700000000000002 110.77 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.522 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 4.6 t-20 75.21 -46.46 0.59 Allowed 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.767 0.667 . . . . 4.3899999999999997 110.563 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 1.135 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 2.0 t80 52.86 81.67 0.08 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.654 0.74 . . . . 2.9700000000000002 111.996 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.53 HG13 ' HD2' ' B' ' 49' ' ' PRO . 1.7 tp -92.98 142.67 25.7 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.278 -0.873 . . . . 3.9700000000000002 109.752 178.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.53 ' HD2' HG13 ' B' ' 48' ' ' ILE . 48.7 Cg_exo -56.57 115.08 2.22 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.606 2.204 . . . . 3.6600000000000001 112.238 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -68.27 -62.91 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.912 -0.586 . . . . 5.1100000000000003 111.425 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -143.72 35.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.576 -0.284 . . . . 8.3200000000000003 111.023 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 13.2 m 70.47 -67.44 0.24 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.768 -0.651 . . . . 6.1200000000000001 111.555 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 178.94 149.21 0.23 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.552 0.532 . . . . 7.4400000000000004 110.481 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.48 ' HB3' ' OE1' ' B' ' 55' ' ' GLN . 2.4 tt0 -72.7 -91.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.341 0.591 . . . . 10.52 111.535 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.48 ' OE1' ' HB3' ' B' ' 54' ' ' GLN . 1.3 pm0 -89.49 -29.07 19.24 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.597 -0.729 . . . . 12.48 110.853 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.86 -175.74 5.5 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.073 0.463 . . . . 11.92 111.456 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.04 126.51 6.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.51 -0.768 . . . . 12.460000000000001 109.411 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.97 135.81 12.93 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.656 -0.783 . . . . 14.220000000000001 112.859 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -138.36 91.07 2.52 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.951 -0.388 . . . . 16.629999999999999 109.951 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -84.0 -14.45 50.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.113 0.482 . . . . 18.329999999999998 110.154 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.7 m -76.46 147.45 37.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.583 -0.735 . . . . 19.620000000000001 110.103 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.47 -0.776 . . . . 21.170000000000002 110.435 -179.91 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.585 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.612 0 O4'-C1'-N19 108.66 1.075 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.436 ' OP2' ' HA ' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-N19 109.176 1.72 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.706 H2'' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-N19 109.269 1.836 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.706 ' H71' H2'' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O3'-P-O5' 100.725 -1.724 . . . . 5.9699999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-N19 108.869 1.336 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-N19 109.547 2.184 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C1'-N19 109.641 2.301 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-N19 109.272 1.84 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . 0.47 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O3'-P-O5' 101.047 -1.554 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.47 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-N19 109.11 1.637 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.444 ' H72' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-N19 110.21 3.012 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.443 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O3'-P-O5' 99.447 -2.396 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.443 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 O3'-P-O5' 100.476 -1.855 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.101 0 O4'-C1'-N19 109.257 1.821 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O3'-P-O5' 100.768 -1.701 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O4'-C1'-N19 109.273 1.841 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-N19 108.87 1.337 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 N19-C1'-C2' 115.946 1.091 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.565 0 O4'-C1'-N19 108.575 0.969 . . . . 7.4000000000000004 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.646 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O4'-C1'-N19 109.71 2.387 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.458 ' OP2' H2'' ' D' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-N19 109.457 2.071 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.425 ' C7 ' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.574 0 O3'-P-O5' 100.556 -1.812 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . 0.412 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-N19 108.785 1.232 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-N19 109.613 2.267 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-N19 109.552 2.19 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.077 0 O4'-C1'-N19 109.455 2.069 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.444 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O3'-P-O5' 100.765 -1.702 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . 0.444 ' C8 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-N19 109.007 1.508 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . 0.444 " H2'" ' OH ' ' A' ' 17' ' ' TYR . . . . . . . . 0 O3'--C3' 1.419 -0.907 0 O4'-C1'-N19 109.712 2.39 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.036 0 O4'-C1'-N19 109.7 2.375 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O3'-P-O5' 100.015 -2.097 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-N19 109.221 1.777 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O4'-C1'-N19 109.175 1.719 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C1'-N19 109.232 1.79 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-N19 108.794 1.243 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 N19-C1'-C2' 115.735 0.96 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.253 0.073 . . . . 8.1099999999999994 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp 70.23 160.55 0.15 Allowed Pre-proline 0 N--CA 1.468 0.442 0 C-N-CA 122.95 0.5 . . . . 7.29 111.342 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.721 ' HG2' HG12 ' A' ' 48' ' ' ILE . 10.9 Cg_endo -94.23 -165.62 0.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.545 2.83 . . . . 4.3700000000000001 114.049 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.632 HG13 ' HB2' ' A' ' 8' ' ' ASP . 44.9 t -64.97 150.32 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-N 114.632 -1.167 . . . . 3.4500000000000002 112.953 -179.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.9 p -118.49 163.3 16.98 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.76 -1.57 . . . . 3.5499999999999998 106.76 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.084 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.4 mt -59.2 -25.1 63.68 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 119.813 -0.755 . . . . 2.8500000000000001 111.318 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -65.05 -37.8 88.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.668 0.747 . . . . 4.3899999999999997 110.377 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.632 ' HB2' HG13 ' A' ' 4' ' ' VAL . 19.1 m-20 -65.63 -44.34 86.75 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.344 -1.298 . . . . 4.1299999999999999 109.807 -178.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.44 HG13 ' HB3' ' A' ' 41' ' ' ALA . 87.0 t -68.52 -42.7 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 CA-C-O 121.67 0.748 . . . . 2.9100000000000001 109.15 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.547 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -56.71 -48.47 77.63 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.437 -1.256 . . . . 3.1400000000000001 111.4 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.61 -48.81 65.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.015 -0.539 . . . . 5.2400000000000002 109.839 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.818 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 52.0 t80 -60.27 -29.56 68.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.277 -0.874 . . . . 3.8199999999999998 111.508 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.3 -27.52 29.74 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.764 0.792 . . . . 2.8700000000000001 109.571 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.51 35.12 8.79 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.688 -1.142 . . . . 3.2799999999999998 110.673 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.611 HG21 HG12 ' A' ' 38' ' ' VAL . 6.2 m -139.27 145.79 26.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 114.245 -0.978 . . . . 3.3900000000000001 110.136 -179.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.3 m -55.16 150.98 9.99 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.599 0.714 . . . . 4.3399999999999999 110.397 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.661 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 82.6 t80 -52.53 -52.01 56.86 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.755 -1.112 . . . . 3.71 112.212 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -22.37 66.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.581 -0.736 . . . . 5.5 111.515 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -65.89 -61.53 2.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.976 -0.379 . . . . 3.6499999999999999 109.976 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.554 ' HB ' ' CG1' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -68.34 -29.15 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 2.8500000000000001 111.84 -178.87 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -58.03 -44.64 87.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.078 0.466 . . . . 3.1899999999999999 110.129 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.903 HH11 HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.06 -27.73 63.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.497 0.665 . . . . 4.4400000000000004 109.253 179.609 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.033 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 54.7 t -67.25 -50.92 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 114.734 -1.121 . . . . 2.9100000000000001 110.776 -179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.443 HG12 ' ND2' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -63.9 -18.29 22.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.162 -0.926 . . . . 2.7200000000000002 111.602 -179.473 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' ND2' HG12 ' A' ' 24' ' ' VAL . 12.2 m-80 -104.0 -12.02 17.06 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.442 0.905 . . . . 3.6800000000000002 113.442 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.1 -58.1 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.22 0.452 . . . . 6.0800000000000001 112.22 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.033 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 58.8 51.58 7.41 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.103 0.478 . . . . 4.6299999999999999 111.435 -178.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -64.01 -53.85 43.55 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.732 -0.667 . . . . 5.0899999999999999 110.967 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -111.3 80.55 1.32 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.594 0.711 . . . . 5.7999999999999998 110.115 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.903 HG22 HH11 ' A' ' 22' ' ' ARG . 5.8 t -146.84 151.53 13.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 114.522 -1.217 . . . . 4.2300000000000004 108.509 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.8 p -83.83 158.42 21.68 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.245 -0.582 . . . . 3.6600000000000001 110.717 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.631 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -53.79 -55.74 23.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.745 -0.661 . . . . 3.2799999999999998 112.255 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -49.4 -32.32 11.38 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.61 0.596 . . . . 4.5899999999999999 112.61 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.712 ' O ' HG13 ' A' ' 38' ' ' VAL . 1.7 m -70.07 -52.2 25.82 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 112.094 0.405 . . . . 2.8599999999999999 112.094 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.527 ' O ' HG22 ' A' ' 38' ' ' VAL . 30.4 mtm180 -60.39 -41.5 93.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.995 0.426 . . . . 4.1600000000000001 110.363 -177.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.631 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 31.2 mm-40 -67.42 -31.77 72.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.587 -0.733 . . . . 3.5499999999999998 110.357 -179.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -72.02 -47.86 48.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 2.8399999999999999 109.891 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.828 HG21 HG11 ' A' ' 23' ' ' VAL . 2.2 m -63.58 -44.17 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.842 -0.799 . . . . 2.2599999999999998 108.842 178.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 15.9 mt-10 -57.54 -47.55 81.73 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.106 -0.952 . . . . 3.27 109.857 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -59.15 -53.35 59.27 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 109.357 -0.609 . . . . 2.8599999999999999 109.357 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.818 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -53.36 -51.81 61.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 113.34 0.867 . . . . 2.8900000000000001 113.34 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.414 ' N ' HG13 ' A' ' 9' ' ' VAL . 14.6 ptp -65.26 -31.92 73.32 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.933 -0.307 . . . . 2.8799999999999999 110.273 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.0 -43.78 70.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.811 0.338 . . . . 3.6000000000000001 110.975 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.715 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 23.6 mm-40 -68.64 -45.39 71.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.23 0.538 . . . . 4.0899999999999999 111.023 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.8 mt -80.84 2.16 27.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.444 -0.798 . . . . 3.71 111.269 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.528 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 1.8 t-20 75.39 -58.37 0.56 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.326 -0.62 . . . . 4.1799999999999997 109.326 -178.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 1.084 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 11.6 t80 56.6 110.21 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.643 0.979 . . . . 3.1000000000000001 113.643 177.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.721 HG12 ' HG2' ' A' ' 3' ' ' PRO . 2.0 pp -90.73 164.9 24.33 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 114.95 -1.023 . . . . 3.7000000000000002 109.39 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.436 ' CG ' ' HB2' ' A' ' 54' ' ' GLN . 26.3 Cg_exo -63.18 -84.56 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.417 2.078 . . . . 3.6000000000000001 112.421 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 49' ' ' PRO . 7.6 t-20 177.94 -71.21 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.981 0.419 . . . . 5.1399999999999997 110.683 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.469 HH11 " H5'" ' C' ' 12' ' ' ' DC' . 4.2 mtm180 -127.45 33.68 4.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.236 0.541 . . . . 9.0 110.461 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.5 m -144.76 110.11 5.21 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.788 -0.819 . . . . 5.8700000000000001 108.788 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.25 112.29 0.85 Allowed 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.279 -1.328 . . . . 7.9500000000000002 112.839 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HB2' ' CG ' ' A' ' 49' ' ' PRO . 19.2 mm-40 -145.09 -77.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.848 -0.614 . . . . 10.550000000000001 110.357 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.603 ' HG3' ' HA ' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -83.82 54.25 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 13.16 110.809 -179.289 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.5 mt -111.54 15.35 21.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.106 0.479 . . . . 12.140000000000001 110.986 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.41 140.04 53.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.914 -0.585 . . . . 14.140000000000001 110.262 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.71 -58.81 4.89 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.131 -0.557 . . . . 16.039999999999999 112.383 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 tttm 61.57 -138.77 0.51 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.079 0.552 . . . . 17.800000000000001 110.469 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 58.44 -136.51 0.9 Allowed 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.071 -0.344 . . . . 19.609999999999999 110.071 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 m -92.75 115.55 28.21 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.534 -0.543 . . . . 20.57 109.534 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 61.0 tp . . . . . 0 N--CA 1.465 0.295 0 O-C-N 123.494 0.496 . . . . 21.890000000000001 110.749 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.6 ttm . . . . . 0 C--O 1.228 -0.043 0 CA-C-O 121.288 0.566 . . . . 10.35 110.196 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -120.81 92.03 47.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.88 -0.6 . . . . 8.3300000000000001 110.9 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -81.35 1.34 9.35 Favored 'Trans proline' 0 CA--C 1.513 -0.544 0 C-N-CA 122.681 2.254 . . . . 4.4900000000000002 112.437 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.627 HG13 ' HB2' ' B' ' 8' ' ' ASP . 56.3 t -138.87 140.57 38.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.842 0.829 . . . . 3.1600000000000001 110.913 179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.8 p -107.99 158.79 17.07 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.031 -1.841 . . . . 3.1699999999999999 106.031 176.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 1.078 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.4 mt -61.43 -20.86 63.58 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 118.604 -1.239 . . . . 2.5600000000000001 109.677 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.24 -40.27 95.69 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 114.952 -1.022 . . . . 4.2800000000000002 109.51 177.637 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.627 ' HB2' HG13 ' B' ' 4' ' ' VAL . 24.4 m-20 -61.67 -44.23 97.34 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 114.158 -1.383 . . . . 3.77 109.568 -178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' B' ' 42' ' ' MET . 75.7 t -68.77 -42.36 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.357 -0.838 . . . . 2.6800000000000002 109.161 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.521 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.5 -46.42 86.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.314 -1.312 . . . . 3.1299999999999999 111.466 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -49.04 71.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.609 -0.723 . . . . 5.21 109.327 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.805 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.3 t80 -61.65 -27.87 68.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.027 -0.988 . . . . 3.6200000000000001 111.272 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.05 -25.39 25.93 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.556 0.693 . . . . 2.9399999999999999 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.21 31.65 16.33 Favored Glycine 0 CA--C 1.498 -0.997 0 CA-C-N 114.728 -1.124 . . . . 3.6600000000000001 111.598 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.62 ' HB ' HG21 ' B' ' 19' ' ' THR . 6.9 m -139.54 150.53 22.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.611 -0.795 . . . . 3.5299999999999998 111.073 -177.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.3 m -50.55 161.46 0.32 Allowed 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 121.896 0.855 . . . . 4.3799999999999999 111.531 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.723 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 76.0 t80 -57.51 -63.73 1.13 Allowed 'General case' 0 C--O 1.196 -1.742 0 CA-C-N 114.706 -1.134 . . . . 3.6200000000000001 111.634 -179.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.704 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.9 OUTLIER -62.15 10.47 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 126.294 1.837 . . . . 5.04 110.845 167.044 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.62 HG21 ' HB ' ' B' ' 15' ' ' VAL . 23.4 m -78.98 -65.34 1.01 Allowed 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 104.738 -2.319 . . . . 3.7799999999999998 104.738 162.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -76.28 -31.24 20.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 C-N-CA 126.637 1.975 . . . . 2.9300000000000002 113.463 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.704 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 17.8 t -60.31 -40.29 90.05 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 108.531 -0.914 . . . . 3.23 108.531 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -66.31 -32.23 73.5 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.898 -1.149 . . . . 5.4000000000000004 107.898 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 1.003 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 83.8 t -66.1 -50.9 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 114.108 -1.406 . . . . 3.1800000000000002 109.687 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.448 HG21 HD21 ' B' ' 6' ' ' LEU . 53.6 t -66.46 -21.52 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.985 -1.007 . . . . 3.1200000000000001 112.353 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 2.1 m-80 -90.38 -11.92 39.11 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.628 -0.829 . . . . 4.0700000000000003 112.32 -176.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.437 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 9.7 pt20 157.94 -42.14 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 O-C-N 124.246 0.966 . . . . 6.0300000000000002 110.89 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 1.003 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 58.49 54.74 5.3 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.307 -0.86 . . . . 4.4800000000000004 112.28 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -25.73 60.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.822 -0.626 . . . . 5.6900000000000004 110.569 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.793 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 31.1 m-70 -126.99 83.32 2.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.906 -0.588 . . . . 6.5300000000000002 110.135 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.484 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 31.5 t -152.99 153.8 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 116.134 -0.484 . . . . 4.4299999999999997 110.586 -178.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.428 ' N ' HG12 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -87.32 -175.5 5.29 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.284 -0.416 . . . . 3.96 110.509 178.611 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -72.07 -73.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.967 0.728 . . . . 3.3100000000000001 112.967 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.444 ' O ' ' HD3' ' B' ' 37' ' ' LYS . 47.7 pttt -43.24 -41.86 4.08 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.68 0.993 . . . . 4.9000000000000004 113.68 -177.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.701 ' O ' HG13 ' B' ' 38' ' ' VAL . 10.9 m -55.86 -51.02 69.0 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 120.861 -0.336 . . . . 3.1299999999999999 111.46 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 35' ' ' ARG . 2.6 ttm180 -59.33 -37.5 77.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.046 -0.525 . . . . 3.9100000000000001 110.614 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 27.0 mt-10 -67.35 -40.75 85.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.474 -0.785 . . . . 2.9399999999999999 111.33 -179.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' B' ' 33' ' ' LYS . 7.3 mtpp -71.23 -43.59 67.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.902 -0.59 . . . . 3.1000000000000001 111.223 -178.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -66.85 -44.12 89.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.793 -0.447 . . . . 2.3300000000000001 109.793 179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -61.92 -37.81 86.09 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.323 -0.621 . . . . 3.0 109.323 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -64.42 -53.21 51.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.854 -0.795 . . . . 2.6499999999999999 108.854 177.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.805 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.02 -51.36 57.88 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.525 -0.761 . . . . 2.6800000000000002 112.94 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.43 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.8 ptp -64.78 -32.0 73.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 121.011 -0.276 . . . . 2.7400000000000002 110.549 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.09 -42.01 73.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.382 . . . . 3.4300000000000002 111.049 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.494 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 4.3 mm-40 -69.37 -44.83 70.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.378 0.609 . . . . 3.8100000000000001 110.853 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 7.6 mt -81.12 2.28 28.1 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.327 -0.851 . . . . 3.4700000000000002 110.706 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 9.4 t30 74.02 -57.71 0.61 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.538 0.735 . . . . 4.3899999999999997 109.707 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 1.078 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 14.2 t80 49.21 101.6 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.16 1.171 . . . . 2.9700000000000002 114.16 177.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.462 ' HA ' ' HD3' ' B' ' 49' ' ' PRO . 0.0 OUTLIER -86.57 121.99 71.98 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.592 -0.892 . . . . 3.9700000000000002 108.592 177.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 48' ' ' ILE . 17.2 Cg_exo -67.8 -142.06 0.01 OUTLIER 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 123.807 3.004 . . . . 3.6600000000000001 114.733 -178.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -82.4 41.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.528 -0.76 . . . . 5.1100000000000003 111.922 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.43 ' O ' ' HD2' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -114.2 79.95 1.33 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.391 -0.596 . . . . 8.3200000000000003 109.391 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.9 103.8 10.3 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-O 122.313 1.054 . . . . 6.1200000000000001 109.483 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.2 97.56 1.55 Allowed 'General case' 0 C--N 1.298 -1.643 0 CA-C-N 113.094 -1.866 . . . . 7.4400000000000004 111.013 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -55.64 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.001 -0.545 . . . . 10.52 110.69 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -131.5 -12.37 3.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 12.48 110.78 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 33.3 tp -70.08 -32.62 70.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.224 -0.444 . . . . 11.92 111.355 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . 68.62 -58.82 0.47 Allowed 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.884 0.74 . . . . 12.460000000000001 111.712 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.12 23.0 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.907 -0.477 . . . . 14.220000000000001 111.907 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -144.42 162.67 35.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.73 0.3 . . . . 16.629999999999999 110.517 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -97.15 45.73 1.04 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.32 0.581 . . . . 18.329999999999998 110.097 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 49.5 m -156.04 159.46 39.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.472 -0.786 . . . . 19.620000000000001 109.458 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.163 -0.923 . . . . 21.170000000000002 110.285 -179.609 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.488 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.569 0 O4'-C1'-N19 108.542 0.927 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.404 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C1'-N19 109.155 1.694 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . 0.401 H2'' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-N19 109.019 1.524 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.401 ' H71' H2'' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O3'-P-O5' 100.503 -1.84 . . . . 5.9699999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O3'-P-O5' 100.466 -1.86 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.418 -1.038 0 O3'-P-O5' 100.349 -1.921 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O3'-P-O5' 100.156 -2.023 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O3'-P-O5' 100.646 -1.765 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O3'-P-O5' 100.074 -2.066 . . . . 6.2400000000000002 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . 0.425 " C2'" ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 O3'-P-O5' 100.689 -1.743 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.425 ' H72' " C2'" ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.067 0 O4'-C1'-N19 109.652 2.315 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.541 " C2'" ' H71' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.417 -1.062 0 O3'-P-O5' 98.563 -2.862 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.541 ' H71' " C2'" ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O3'-P-O5' 99.807 -2.207 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O3'-P-O5' 100.0 -2.105 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O3'-P-O5' 100.084 -2.061 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 O3'-P-O5' 100.606 -1.786 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C1'-N19 108.911 1.389 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 N19-C1'-C2' 115.723 0.952 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 1' ' ' ' DC' . . . . . 0.505 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.631 0 O4'-C1'-N19 108.547 0.934 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 2' ' ' ' DG' . . . . . 0.793 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O4'-C1'-N19 109.208 1.759 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.484 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.018 0 O4'-C1'-N19 109.661 2.326 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.465 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.518 -0.968 0 O3'-P-O5' 99.36 -2.442 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C1'-N19 109.029 1.536 . . . . 7.4699999999999998 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O3'-P-O5' 100.586 -1.797 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O3'-P-O5' 99.788 -2.217 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.062 0 O3'-P-O5' 100.117 -2.044 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O3'-P-O5' 99.587 -2.323 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.117 0 O3'-P-O5' 100.143 -2.03 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.055 0 O3'-P-O5' 99.552 -2.341 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.113 0 O3'-P-O5' 100.08 -2.063 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.992 0 O3'-P-O5' 99.893 -2.162 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O3'-P-O5' 100.215 -1.992 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O3'-P-O5' 100.3 -1.947 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O3'-P-O5' 100.514 -1.835 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O3'-P-O5' 101.419 -1.359 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 N19-C1'-C2' 115.608 0.88 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.442 -0.868 0 N-CA-C 105.565 -2.013 . . . . 3.5499999999999998 105.565 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.739 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 1.5 mt -60.1 -22.75 63.17 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 119.152 -1.019 . . . . 2.8500000000000001 110.583 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -65.3 -36.95 85.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.316 -0.856 . . . . 4.3899999999999997 110.255 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.77 -45.11 83.73 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 114.637 -1.165 . . . . 4.1299999999999999 110.121 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.467 HG13 ' HB3' ' A' ' 41' ' ' ALA . 91.9 t -67.29 -39.93 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 108.81 -0.811 . . . . 2.9100000000000001 108.81 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.614 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -59.54 -48.28 82.28 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.372 -1.286 . . . . 3.1400000000000001 111.057 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.65 -50.14 66.08 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.564 -0.744 . . . . 5.2400000000000002 109.61 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.791 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 53.6 t80 -61.44 -27.81 68.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.84 -1.073 . . . . 3.8199999999999998 111.69 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.535 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.31 -27.3 27.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.862 0.839 . . . . 2.8700000000000001 109.435 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.45 35.11 8.84 Favored Glycine 0 N--CA 1.441 -1.016 0 CA-C-N 114.549 -1.205 . . . . 3.2799999999999998 110.809 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.678 HG11 HG23 ' A' ' 34' ' ' THR . 6.4 m -139.55 147.28 24.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 114.242 -0.979 . . . . 3.3900000000000001 110.348 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.2 m -56.1 151.97 11.35 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.578 0.704 . . . . 4.3399999999999999 110.193 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.739 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 83.1 t80 -53.37 -51.07 63.66 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.816 -1.084 . . . . 3.71 112.117 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.401 ' H ' ' HG2' ' A' ' 18' ' ' GLN . 26.4 mm-40 -60.74 -21.22 62.75 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.965 -1.016 . . . . 5.5 111.317 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.7 m -70.11 -62.49 1.36 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.36 -0.382 . . . . 3.6499999999999999 110.434 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -69.46 -29.86 43.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.917 -0.583 . . . . 2.8500000000000001 111.795 -179.078 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.1 t -58.3 -44.82 88.71 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.438 -0.579 . . . . 3.1899999999999999 109.438 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.586 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -71.39 -26.55 62.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.114 -0.698 . . . . 4.4400000000000004 109.114 179.484 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.063 HG11 HG21 ' A' ' 38' ' ' VAL . 42.8 t -66.04 -50.21 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.19 -0.914 . . . . 2.9100000000000001 110.067 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.15 -0.932 . . . . 2.7200000000000002 111.354 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.754 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.8 m . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 120.459 0.171 . . . . 2.8599999999999999 111.2 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 25.1 mtt180 -65.42 -34.3 77.97 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.19 -0.671 . . . . 4.1600000000000001 109.19 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -64.76 -42.67 94.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.086 -0.961 . . . . 3.5499999999999998 111.296 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -37.55 52.41 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.128 -0.629 . . . . 2.8399999999999999 111.613 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.063 HG21 HG11 ' A' ' 23' ' ' VAL . 3.3 m -63.65 -47.39 91.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 108.549 -0.908 . . . . 2.2599999999999998 108.549 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 2.8 mt-10 -60.43 -42.94 97.09 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.618 -0.719 . . . . 3.27 109.407 177.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 44' ' ' GLU . . . -61.46 -56.64 17.95 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.256 -0.646 . . . . 2.8599999999999999 109.256 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.791 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -49.95 -51.58 40.2 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 113.265 0.839 . . . . 2.8900000000000001 113.265 -178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.0 ptp -64.44 -32.07 73.55 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.631 -0.428 . . . . 2.8799999999999999 110.318 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.27 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.413 . . . . 3.6000000000000001 111.162 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 1.4 mt-10 -68.61 -44.31 74.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.635 -0.712 . . . . 4.0899999999999999 110.806 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -80.6 -0.56 38.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.548 . . . . 3.71 110.867 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 1.7 t-20 . . . . . 0 N--CA 1.475 0.799 0 O-C-N 123.704 0.628 . . . . 4.1799999999999997 109.789 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.434 -1.241 0 N-CA-C 104.885 -2.265 . . . . 3.1699999999999999 104.885 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.824 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.1 mt -59.99 -20.37 57.36 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 118.722 -1.191 . . . . 2.5600000000000001 110.59 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -37.2 86.38 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.284 -0.871 . . . . 4.2800000000000002 109.999 177.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -65.44 -44.73 86.4 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 114.067 -1.424 . . . . 3.77 110.472 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.405 HG13 ' N ' ' B' ' 42' ' ' MET . 89.9 t -67.46 -40.13 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 108.634 -0.876 . . . . 2.6800000000000002 108.634 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.547 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -59.96 -46.98 87.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.15 -1.386 . . . . 3.1299999999999999 111.318 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -65.99 -49.46 67.72 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.302 0.572 . . . . 5.21 109.636 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.842 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 42.4 t80 -59.81 -28.18 67.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.065 -0.971 . . . . 3.6200000000000001 111.274 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.417 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -86.66 -26.48 24.32 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.283 -0.636 . . . . 2.9399999999999999 109.283 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.38 33.37 10.52 Favored Glycine 0 CA--C 1.499 -0.932 0 CA-C-N 115.069 -0.969 . . . . 3.6600000000000001 111.212 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.636 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.0 m -139.85 151.4 22.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 114.679 -0.761 . . . . 3.5299999999999998 112.078 -176.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.551 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -51.1 156.59 1.04 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.536 0.684 . . . . 4.3799999999999999 109.755 178.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.824 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 90.4 t80 -56.62 -58.31 8.6 Favored 'General case' 0 CA--C 1.49 -1.363 0 CA-C-N 115.475 -0.784 . . . . 3.6200000000000001 109.373 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.862 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -72.69 7.74 1.79 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 120.393 -0.523 . . . . 5.04 111.571 178.571 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.636 HG21 ' HB ' ' B' ' 15' ' ' VAL . 22.4 m -72.5 -62.62 1.38 Allowed 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 101.996 -3.335 . . . . 3.7799999999999998 101.996 170.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.764 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 0.8 OUTLIER -74.89 -35.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 113.085 -1.871 . . . . 2.9300000000000002 113.604 178.338 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.862 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 73.9 m -60.39 -34.98 74.68 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.167 0.508 . . . . 3.23 110.4 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -33.39 74.64 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.137 -1.431 . . . . 5.4000000000000004 107.137 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.805 HG11 HG21 ' B' ' 38' ' ' VAL . 43.0 t -65.66 -49.84 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.034 -1.439 . . . . 3.1800000000000002 109.387 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 114.847 -1.07 . . . . 3.1200000000000001 111.851 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.47 ' O ' HG22 ' B' ' 38' ' ' VAL . 40.5 mtm-85 . . . . . 0 C--O 1.222 -0.383 0 CA-C-O 121.01 0.433 . . . . 3.9100000000000001 110.758 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -68.07 -32.66 73.16 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.644 -0.707 . . . . 2.9399999999999999 111.256 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -73.5 -44.33 58.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 3.1000000000000001 110.38 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.805 HG21 HG11 ' B' ' 23' ' ' VAL . 2.8 m -68.01 -42.7 85.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.062 -0.718 . . . . 2.3300000000000001 109.062 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 4.6 mt-10 -57.6 -44.15 85.22 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.334 -0.848 . . . . 3.0 109.546 177.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -63.44 -52.03 63.17 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 109.368 -0.605 . . . . 2.6499999999999999 109.368 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.842 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.87 -52.0 58.99 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.345 0.869 . . . . 2.6800000000000002 113.345 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.418 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 15.3 ptp -64.32 -31.8 73.14 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 121.164 -0.214 . . . . 2.7400000000000002 110.508 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.11 -42.42 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 3.4300000000000002 111.229 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 54.3 mm-40 -69.78 -44.89 69.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.432 0.634 . . . . 3.8100000000000001 111.037 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.0 mt . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 115.288 -0.869 . . . . 3.4700000000000002 110.803 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 CA--C 1.502 -0.894 0 N-CA-C 105.711 -1.959 . . . . 3.5499999999999998 105.711 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.611 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.3 mt -59.78 -21.63 61.06 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 118.954 -1.099 . . . . 2.8500000000000001 110.562 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -64.79 -38.78 92.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.273 -0.876 . . . . 4.3899999999999997 110.632 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -64.62 -45.59 86.21 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 114.413 -1.267 . . . . 4.1299999999999999 110.423 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.471 HG13 ' HB3' ' A' ' 41' ' ' ALA . 84.1 t -68.09 -41.48 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 CA-C-N 115.535 -0.757 . . . . 2.9100000000000001 109.092 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.615 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.65 -49.17 77.35 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.422 -1.263 . . . . 3.1400000000000001 111.585 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -67.2 -47.85 69.68 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.729 -0.668 . . . . 5.2400000000000002 109.777 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.782 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 49.3 t80 -61.48 -30.08 70.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.801 -0.636 . . . . 3.8199999999999998 111.445 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -81.63 -27.29 34.21 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.839 0.828 . . . . 2.8700000000000001 109.851 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.06 34.02 9.17 Favored Glycine 0 N--CA 1.44 -1.095 0 CA-C-N 114.629 -1.168 . . . . 3.2799999999999998 110.702 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.851 HG11 HG23 ' A' ' 34' ' ' THR . 4.7 m -139.25 146.83 25.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.143 -1.028 . . . . 3.3900000000000001 110.242 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 m -54.88 151.0 9.18 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.612 0.72 . . . . 4.3399999999999999 110.809 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.611 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 58.1 t80 -52.51 -51.78 57.83 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 114.518 -1.219 . . . . 3.71 111.894 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -24.46 66.65 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.699 -1.137 . . . . 5.5 112.134 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -67.4 -60.86 2.23 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.818 0.342 . . . . 3.6499999999999999 110.861 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.615 HG11 ' HA ' ' A' ' 10' ' ' ALA . 1.4 m -68.02 -28.54 41.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.034 -0.53 . . . . 2.8500000000000001 112.03 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.2 m -55.85 -43.72 77.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.239 0.542 . . . . 3.1899999999999999 109.697 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -70.62 -29.39 65.76 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.581 -0.736 . . . . 4.4400000000000004 109.718 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.949 HG11 HG21 ' A' ' 38' ' ' VAL . 88.9 t -65.41 -44.21 94.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.106 -0.952 . . . . 2.9100000000000001 110.022 -179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.498 0.666 . . . . 2.7200000000000002 109.834 178.53 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.851 HG23 HG11 ' A' ' 15' ' ' VAL . 31.6 m . . . . . 0 N--CA 1.442 -0.841 0 CA-C-O 120.376 0.131 . . . . 2.8599999999999999 111.056 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HG3' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -63.01 -38.43 91.16 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 109.268 -0.642 . . . . 4.1600000000000001 109.268 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -68.63 -34.23 75.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.763 -1.108 . . . . 3.5499999999999998 110.526 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -70.57 -46.39 63.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.841 -0.618 . . . . 2.8399999999999999 110.754 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.949 HG21 HG11 ' A' ' 23' ' ' VAL . 2.3 m -65.43 -44.91 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.478 -0.564 . . . . 2.2599999999999998 109.478 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.57 -41.22 97.08 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.724 -0.671 . . . . 3.27 109.362 178.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.57 -56.22 22.27 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.414 -0.958 . . . . 2.8599999999999999 108.414 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.782 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.67 -51.4 49.66 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 113.246 0.832 . . . . 2.8900000000000001 113.246 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.414 ' N ' HG13 ' A' ' 9' ' ' VAL . 16.0 ptp -64.73 -32.39 74.04 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.865 -0.334 . . . . 2.8799999999999999 110.445 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.93 65.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.423 . . . . 3.6000000000000001 111.156 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.09 -44.53 72.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.799 -0.637 . . . . 4.0899999999999999 110.895 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.1 mt -80.97 0.42 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.922 -0.581 . . . . 3.71 110.998 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 N--CA 1.473 0.705 0 C-N-CA 123.601 0.76 . . . . 4.1799999999999997 110.244 -179.132 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.439 -1.014 0 N-CA-C 104.761 -2.311 . . . . 3.1699999999999999 104.761 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.804 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.3 mt -59.16 -21.23 59.06 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.849 -1.14 . . . . 2.5600000000000001 110.452 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.47 -36.34 83.43 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.898 -1.046 . . . . 4.2800000000000002 109.724 177.122 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' B' ' 5' ' ' THR . 37.7 m-20 -65.88 -44.05 86.46 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.423 -1.262 . . . . 3.77 110.101 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' B' ' 42' ' ' MET . 79.7 t -67.58 -41.02 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.923 0.868 . . . . 2.6800000000000002 109.014 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.57 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.8 -47.54 85.86 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.13 -1.396 . . . . 3.1299999999999999 111.376 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.92 -48.65 73.39 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.68 -0.691 . . . . 5.21 109.252 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.826 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.4 t80 -60.87 -27.55 68.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.103 -0.953 . . . . 3.6200000000000001 111.636 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.437 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -86.67 -25.68 24.7 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.51 0.672 . . . . 2.9399999999999999 109.354 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.83 31.14 15.94 Favored Glycine 0 CA--C 1.496 -1.123 0 CA-C-N 115.031 -0.986 . . . . 3.6600000000000001 111.624 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.593 ' HB ' HG21 ' B' ' 19' ' ' THR . 13.5 m -139.89 151.38 21.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.621 -0.79 . . . . 3.5299999999999998 110.395 -176.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -50.82 156.41 0.97 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.475 0.655 . . . . 4.3799999999999999 110.653 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.804 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 59.6 t80 -51.5 -58.67 5.65 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 115.416 -0.811 . . . . 3.6200000000000001 109.315 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.701 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.4 8.72 2.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.889 0.852 . . . . 5.04 112.621 179.547 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.593 HG21 ' HB ' ' B' ' 15' ' ' VAL . 52.2 m -74.46 -57.38 3.97 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 102.432 -3.173 . . . . 3.7799999999999998 102.432 173.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.851 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -78.77 -34.68 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 111.995 -2.366 . . . . 2.9300000000000002 113.22 175.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.701 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 20.1 m -64.94 -28.88 69.82 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 120.704 -1.247 . . . . 3.23 109.09 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.662 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 5.8 ttt180 -64.73 -36.01 82.92 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 106.952 -1.499 . . . . 5.4000000000000004 106.952 176.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.786 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 82.8 t -62.72 -52.97 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 113.76 -1.563 . . . . 3.1800000000000002 109.344 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 CA--C 1.541 0.602 0 CA-C-N 115.348 -0.842 . . . . 3.1200000000000001 111.91 178.92 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.517 ' HA ' HG22 ' B' ' 38' ' ' VAL . 22.9 mtm180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 110.071 -0.344 . . . . 3.9100000000000001 110.071 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -65.16 -36.32 83.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.989 -0.551 . . . . 2.9399999999999999 110.385 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -78.43 -43.69 26.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.953 -0.567 . . . . 3.1000000000000001 110.998 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.851 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.5 m -66.7 -45.14 88.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.737 -0.468 . . . . 2.3300000000000001 109.737 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 11.0 mt-10 -59.7 -42.97 94.19 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.06 -0.719 . . . . 3.0 109.06 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.714 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.93 -54.3 43.74 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.151 -0.685 . . . . 2.6499999999999999 109.151 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.826 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.38 -51.54 53.71 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 113.077 0.769 . . . . 2.6800000000000002 113.077 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 17.0 ptp -65.29 -32.79 74.63 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 120.795 -0.362 . . . . 2.7400000000000002 110.271 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.73 -42.45 70.54 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.9 0.381 . . . . 3.4300000000000002 111.546 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.714 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.1 mm-40 -68.76 -44.56 73.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.925 -0.579 . . . . 3.8100000000000001 110.475 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.5 mt . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.432 -0.804 . . . . 3.4700000000000002 110.406 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.438 -1.068 0 N-CA-C 105.809 -1.923 . . . . 3.5499999999999998 105.809 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.675 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 3.1 mt -58.08 -24.36 58.27 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 119.653 -0.819 . . . . 2.8500000000000001 112.056 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -64.87 -36.76 85.4 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.867 0.841 . . . . 4.3899999999999997 110.497 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.58 -46.04 80.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.022 -1.445 . . . . 4.1299999999999999 110.046 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.496 HG13 ' HB3' ' A' ' 41' ' ' ALA . 87.2 t -67.81 -40.88 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 115.339 -0.846 . . . . 2.9100000000000001 109.393 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.563 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.69 -46.86 86.32 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.511 -1.222 . . . . 3.1400000000000001 111.594 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -49.16 64.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.465 0.65 . . . . 5.2400000000000002 109.427 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.767 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.4 t80 -61.79 -27.59 68.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.707 -1.133 . . . . 3.8199999999999998 111.653 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.435 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.62 -27.66 27.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.631 0.729 . . . . 2.8700000000000001 109.573 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.91 34.56 8.86 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 114.85 -1.068 . . . . 3.2799999999999998 110.997 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.781 HG11 HG23 ' A' ' 34' ' ' THR . 4.3 m -139.66 147.05 24.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.391 -0.904 . . . . 3.3900000000000001 110.075 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 m -56.14 149.2 16.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.999 -0.68 . . . . 4.3399999999999999 110.688 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.675 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 76.3 t80 -49.68 -51.03 41.14 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.603 -1.18 . . . . 3.71 112.079 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -23.67 66.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.104 -0.953 . . . . 5.5 111.903 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.8 m -67.1 -61.6 1.85 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.851 0.358 . . . . 3.6499999999999999 110.063 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.563 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.05 -29.05 41.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.888 -0.596 . . . . 2.8500000000000001 111.305 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.3 t -58.77 -41.41 86.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.359 -0.608 . . . . 3.1899999999999999 109.359 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -31.19 68.83 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.754 -0.832 . . . . 4.4400000000000004 108.754 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.992 HG11 HG21 ' A' ' 38' ' ' VAL . 76.8 t -66.69 -50.66 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 114.416 -1.265 . . . . 2.9100000000000001 110.588 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.17 -0.923 . . . . 2.7200000000000002 111.55 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.781 HG23 HG11 ' A' ' 15' ' ' VAL . 10.6 m . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 111.447 0.165 . . . . 2.8599999999999999 111.447 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.45 ' O ' HG22 ' A' ' 38' ' ' VAL . 43.4 mtm180 -64.57 -38.5 91.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.205 0.526 . . . . 4.1600000000000001 109.598 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.38 -33.22 74.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.038 -0.983 . . . . 3.5499999999999998 110.714 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -75.7 -43.87 45.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.98 -0.554 . . . . 2.8399999999999999 110.744 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.992 HG21 HG11 ' A' ' 23' ' ' VAL . 3.0 m -64.55 -46.87 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.325 -0.62 . . . . 2.2599999999999998 109.325 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.7 mt-10 -61.44 -41.13 96.73 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.004 -0.543 . . . . 3.27 109.543 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.31 -57.14 13.54 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 108.637 -0.875 . . . . 2.8599999999999999 108.637 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.767 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.21 -51.3 45.28 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 113.085 0.772 . . . . 2.8900000000000001 113.085 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.436 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.4 ptp -64.16 -32.24 73.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.743 -0.383 . . . . 2.8799999999999999 110.401 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.17 -47.15 52.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.946 0.403 . . . . 3.6000000000000001 110.804 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -66.76 -40.12 88.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.681 -0.691 . . . . 4.0899999999999999 110.117 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.6 mt -81.53 -0.77 43.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 3.71 110.708 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 . . . . . 0 N--CA 1.471 0.586 0 C-N-CA 123.526 0.73 . . . . 4.1799999999999997 111.08 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.437 -1.083 0 N-CA-C 106.017 -1.845 . . . . 3.1699999999999999 106.017 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.843 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.3 mt -58.92 -22.78 60.39 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.164 -1.014 . . . . 2.5600000000000001 110.191 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.49 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.0 OUTLIER -63.66 -37.8 88.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.978 -1.01 . . . . 4.2800000000000002 109.582 177.373 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' B' ' 5' ' ' THR . 2.3 m-20 -67.32 -42.03 84.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.839 -1.528 . . . . 3.77 109.933 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' B' ' 42' ' ' MET . 76.3 t -68.71 -44.17 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 115.318 -0.856 . . . . 2.6800000000000002 109.387 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.46 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.48 -46.83 85.85 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.334 -1.303 . . . . 3.1299999999999999 111.25 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.62 -48.8 73.53 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.484 -0.78 . . . . 5.21 109.525 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.761 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.4 t80 -61.57 -29.01 69.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.148 -0.933 . . . . 3.6200000000000001 111.244 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.45 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -83.26 -26.33 30.8 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.716 0.77 . . . . 2.9399999999999999 109.438 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.45 32.09 12.42 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 114.456 -1.247 . . . . 3.6600000000000001 111.295 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.623 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.3 m -140.09 152.47 21.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.009 -0.595 . . . . 3.5299999999999998 112.203 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -51.06 159.53 0.59 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.6 0.714 . . . . 4.3799999999999999 110.053 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.843 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 75.4 t80 -57.46 -56.63 19.32 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.379 -0.828 . . . . 3.6200000000000001 110.259 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.401 HE21 ' HB2' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -75.84 9.66 2.25 Favored 'General case' 0 CA--C 1.487 -1.479 0 CA-C-N 115.5 -0.773 . . . . 5.04 110.661 177.398 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.623 HG21 ' HB ' ' B' ' 15' ' ' VAL . 86.2 m -73.59 -57.62 3.87 Favored 'General case' 0 N--CA 1.407 -2.613 0 N-CA-C 101.561 -3.496 . . . . 3.7799999999999998 101.561 172.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.887 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.1 m -78.43 -33.17 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.631 -2.077 . . . . 2.9300000000000002 113.596 177.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -32.12 73.48 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.847 -1.158 . . . . 3.23 110.123 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.0 -32.84 73.52 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.156 -1.424 . . . . 5.4000000000000004 107.156 177.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.812 HG11 HG21 ' B' ' 38' ' ' VAL . 54.5 t -66.03 -52.63 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 113.74 -1.573 . . . . 3.1800000000000002 110.083 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.4 t . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 114.659 -1.155 . . . . 3.1200000000000001 112.175 179.554 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 67.9 mtm-85 . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.874 0.369 . . . . 3.9100000000000001 110.327 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -67.06 -43.14 83.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.579 -0.737 . . . . 2.9399999999999999 110.795 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -70.28 -43.43 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.574 -0.285 . . . . 3.1000000000000001 111.71 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.887 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -67.52 -47.42 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.785 -0.366 . . . . 2.3300000000000001 110.429 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.3 mm-40 -62.99 -37.82 88.68 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.239 -0.652 . . . . 3.0 109.239 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.27 -55.16 37.1 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.292 -1.003 . . . . 2.6499999999999999 108.292 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.761 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.9 -51.64 49.8 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.378 -0.828 . . . . 2.6800000000000002 113.058 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.512 ' HA ' HG22 ' B' ' 9' ' ' VAL . 18.9 ptp -64.23 -32.67 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.908 0.385 . . . . 2.7400000000000002 110.596 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.57 -45.73 61.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.184 -0.462 . . . . 3.4300000000000002 110.936 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.47 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.4 OUTLIER -66.77 -41.95 86.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.626 -0.716 . . . . 3.8100000000000001 111.147 -178.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.9 mt . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 3.4700000000000002 111.289 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 CA--C 1.504 -0.791 0 N-CA-C 106.639 -1.615 . . . . 3.5499999999999998 106.639 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.672 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 1.9 mt -59.6 -23.41 62.94 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 118.838 -1.145 . . . . 2.8500000000000001 110.949 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.63 -38.78 92.16 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.815 0.817 . . . . 4.3899999999999997 110.657 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -65.6 -43.96 88.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.196 -1.365 . . . . 4.1299999999999999 110.612 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.435 HG13 ' HB3' ' A' ' 41' ' ' ALA . 86.8 t -68.12 -40.67 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 108.934 -0.765 . . . . 2.9100000000000001 108.934 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.27 -47.2 84.37 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.269 -1.332 . . . . 3.1400000000000001 111.347 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.5 -50.21 64.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.342 0.591 . . . . 5.2400000000000002 109.64 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.84 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.0 t80 -60.97 -27.8 68.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.96 -1.018 . . . . 3.8199999999999998 111.633 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.6 -27.54 29.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.771 0.796 . . . . 2.8700000000000001 109.591 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.89 33.59 9.68 Favored Glycine 0 N--CA 1.44 -1.067 0 CA-C-N 114.778 -1.101 . . . . 3.2799999999999998 110.893 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.682 HG11 HG23 ' A' ' 34' ' ' THR . 5.8 m -138.16 146.49 26.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.245 -0.977 . . . . 3.3900000000000001 109.883 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.8 m -56.2 150.49 14.16 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.612 0.72 . . . . 4.3399999999999999 110.22 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.672 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 71.6 t80 -51.56 -50.49 59.99 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.591 -1.186 . . . . 3.71 112.351 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.41 ' H ' ' HG2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -64.35 -20.54 66.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.715 -1.13 . . . . 5.5 111.475 -176.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.4 m -69.22 -61.06 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 3.6499999999999999 110.301 178.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.552 HG11 ' HA ' ' A' ' 10' ' ' ALA . 1.1 m -68.34 -28.75 41.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.066 -0.515 . . . . 2.8500000000000001 112.243 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.8 m -55.61 -44.97 77.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.01 0.433 . . . . 3.1899999999999999 110.059 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -28.69 65.27 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.867 -0.606 . . . . 4.4400000000000004 109.476 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.918 HG11 HG21 ' A' ' 38' ' ' VAL . 93.5 t -66.58 -51.0 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.244 -0.889 . . . . 2.9100000000000001 110.04 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.224 -0.898 . . . . 2.7200000000000002 111.631 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.773 ' O ' HG13 ' A' ' 38' ' ' VAL . 87.1 m . . . . . 0 N--CA 1.443 -0.805 0 CA-C-O 120.523 0.202 . . . . 2.8599999999999999 110.822 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -62.58 -34.52 77.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.098 0.475 . . . . 4.1600000000000001 110.036 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -66.92 -42.19 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.439 -0.8 . . . . 3.5499999999999998 111.398 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.518 ' HE3' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -77.84 -37.31 48.74 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 120.628 -0.429 . . . . 2.8399999999999999 111.775 -178.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.918 HG21 HG11 ' A' ' 23' ' ' VAL . 4.1 m -62.98 -45.0 99.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 108.494 -0.928 . . . . 2.2599999999999998 108.494 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 5.3 mt-10 -61.67 -43.24 99.23 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.518 -0.764 . . . . 3.27 109.321 178.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.591 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.84 -54.83 40.38 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.03 -0.729 . . . . 2.8599999999999999 109.03 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.84 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.88 -51.79 54.3 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 113.417 0.895 . . . . 2.8900000000000001 113.417 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.1 ptp -64.17 -32.02 73.44 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.781 -0.367 . . . . 2.8799999999999999 110.542 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.71 -44.97 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 3.6000000000000001 111.063 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 5.1 mm-40 -68.08 -43.22 79.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.808 -0.633 . . . . 4.0899999999999999 110.578 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.8 mt -80.46 0.68 32.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.45 -0.795 . . . . 3.71 110.649 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 8.1 t30 . . . . . 0 N--CA 1.47 0.54 0 O-C-N 123.759 0.662 . . . . 4.1799999999999997 110.374 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.436 -1.155 0 N-CA-C 105.219 -2.141 . . . . 3.1699999999999999 105.219 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.845 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -59.47 -23.1 62.44 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 118.68 -1.208 . . . . 2.5600000000000001 110.419 -178.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -35.84 81.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.062 -0.972 . . . . 4.2800000000000002 109.858 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -65.81 -44.7 84.87 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.689 -1.141 . . . . 3.77 110.265 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.479 HG22 ' HA ' ' B' ' 42' ' ' MET . 73.6 t -67.43 -41.12 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.976 0.894 . . . . 2.6800000000000002 108.934 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.492 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.13 -46.4 89.76 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.948 -1.478 . . . . 3.1299999999999999 111.266 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -49.01 71.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.024 -0.732 . . . . 5.21 109.024 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.829 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 36.6 t80 -61.08 -30.88 70.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.395 -0.821 . . . . 3.6200000000000001 111.504 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -81.93 -26.11 34.33 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.679 -0.859 . . . . 2.9399999999999999 108.679 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.12 32.34 12.6 Favored Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 114.124 -1.398 . . . . 3.6600000000000001 111.264 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.776 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.0 m -140.1 152.93 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 CA-C-N 115.374 -0.413 . . . . 3.5299999999999998 111.341 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.494 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.9 m -50.4 158.61 0.57 Allowed 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 122.729 1.252 . . . . 4.3799999999999999 112.273 177.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.845 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 88.6 t80 -54.51 -61.03 2.57 Favored 'General case' 0 CA--C 1.563 1.468 0 CA-C-N 115.311 -0.859 . . . . 3.6200000000000001 110.634 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.865 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 2.0 mp0 -69.9 13.1 0.16 Allowed 'General case' 0 C--O 1.17 -3.11 0 C-N-CA 125.395 1.478 . . . . 5.04 107.695 172.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.776 HG21 ' HB ' ' B' ' 15' ' ' VAL . 20.8 m -77.58 -62.85 1.53 Allowed 'General case' 0 N--CA 1.416 -2.164 1 C-N-CA 110.47 -4.492 . . . . 3.7799999999999998 106.025 168.522 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.791 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -72.98 -29.22 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.212 0 CA-C-N 111.97 -2.377 . . . . 2.9300000000000002 113.352 173.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.865 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 49.3 m -62.81 -34.79 78.03 Favored 'General case' 0 C--O 1.208 -1.119 0 C-N-CA 119.157 -1.017 . . . . 3.23 109.465 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -69.68 -30.17 67.78 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 107.522 -1.288 . . . . 5.4000000000000004 107.522 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.771 HG11 HG21 ' B' ' 38' ' ' VAL . 98.5 t -66.08 -52.77 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-N 114.309 -1.314 . . . . 3.1800000000000002 108.739 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 114.992 -1.004 . . . . 3.1200000000000001 112.002 178.237 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 27.4 mtm180 . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.555 -0.535 . . . . 3.9100000000000001 109.555 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -67.1 -33.93 76.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.43 -0.805 . . . . 2.9399999999999999 110.489 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -70.92 -47.31 59.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.972 -0.558 . . . . 3.1000000000000001 110.285 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.791 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.7 m -68.52 -45.08 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.816 -0.439 . . . . 2.3300000000000001 109.816 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 13.6 mt-10 -60.29 -41.22 92.93 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.645 -0.502 . . . . 3.0 109.645 178.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.579 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -64.81 -51.9 59.69 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.987 -0.746 . . . . 2.6499999999999999 108.987 177.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.829 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.62 -51.66 53.88 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 112.755 0.65 . . . . 2.6800000000000002 112.755 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.479 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.7 ptp -64.66 -32.25 73.83 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.015 -0.274 . . . . 2.7400000000000002 110.36 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.2 -45.02 64.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.363 . . . . 3.4300000000000002 111.252 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 19.4 mm-40 -67.32 -44.51 78.95 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.952 -0.567 . . . . 3.8100000000000001 110.73 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.1 mt . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.567 -0.742 . . . . 3.4700000000000002 110.621 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.2 p . . . . . 0 CA--C 1.505 -0.774 0 N-CA-C 106.276 -1.75 . . . . 3.5499999999999998 106.276 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.61 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.9 mt -59.2 -24.08 62.81 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 119.648 -0.821 . . . . 2.8500000000000001 111.154 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -65.0 -36.9 85.9 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.864 0.84 . . . . 4.3899999999999997 110.292 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -65.7 -44.93 84.65 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 114.18 -1.373 . . . . 4.1299999999999999 109.853 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' A' ' 41' ' ' ALA . 92.7 t -68.78 -42.09 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.534 -0.757 . . . . 2.9100000000000001 109.39 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.657 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.54 -47.46 81.96 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.566 -1.197 . . . . 3.1400000000000001 111.592 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -68.91 -48.6 62.9 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.586 -0.524 . . . . 5.2400000000000002 109.586 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.809 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 54.3 t80 -60.07 -27.21 66.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.473 -0.785 . . . . 3.8199999999999998 111.509 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.94 -28.0 24.56 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.698 0.761 . . . . 2.8700000000000001 109.724 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.44 34.21 8.77 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 114.831 -1.077 . . . . 3.2799999999999998 111.163 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.805 HG11 HG23 ' A' ' 34' ' ' THR . 3.3 m -138.17 147.76 25.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.42 -0.89 . . . . 3.3900000000000001 110.389 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -55.43 147.27 17.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.288 0.566 . . . . 4.3399999999999999 110.595 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.61 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 60.7 t80 -50.47 -51.95 42.56 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.832 -1.076 . . . . 3.71 112.299 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -29.06 67.8 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.985 -1.007 . . . . 5.5 111.758 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.2 m -64.54 -61.32 2.28 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.557 -0.292 . . . . 3.6499999999999999 110.683 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.657 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -68.69 -30.19 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.36 -0.382 . . . . 2.8500000000000001 111.728 -178.778 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.424 ' HA ' HD13 ' A' ' 6' ' ' LEU . 40.2 t -57.96 -47.11 83.88 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.264 -0.643 . . . . 3.1899999999999999 109.264 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -70.08 -27.93 65.01 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.295 -0.866 . . . . 4.4400000000000004 109.642 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.943 HG11 HG21 ' A' ' 38' ' ' VAL . 40.6 t -64.7 -47.88 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.396 -0.82 . . . . 2.9100000000000001 109.236 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.6 t . . . . . 0 C--O 1.234 0.238 0 CA-C-N 115.66 -0.7 . . . . 2.7200000000000002 110.915 179.112 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.805 HG23 HG11 ' A' ' 15' ' ' VAL . 17.9 m . . . . . 0 N--CA 1.443 -0.806 0 CA-C-O 120.487 0.184 . . . . 2.8599999999999999 111.206 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.488 ' O ' HG22 ' A' ' 38' ' ' VAL . 10.9 mtp180 -66.95 -40.27 87.47 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.794 -0.362 . . . . 4.1600000000000001 110.781 -178.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -68.2 -31.77 71.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.201 -0.454 . . . . 3.5499999999999998 109.859 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -72.85 -44.35 61.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.038 -0.528 . . . . 2.8399999999999999 110.555 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.943 HG21 HG11 ' A' ' 23' ' ' VAL . 3.0 m -65.2 -44.53 95.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 108.651 -0.87 . . . . 2.2599999999999998 108.651 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 13.6 mt-10 -59.61 -45.22 92.59 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.369 -0.832 . . . . 3.27 109.42 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.657 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.83 -55.05 37.68 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.175 -0.676 . . . . 2.8599999999999999 109.175 178.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.809 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.16 -52.19 46.45 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 113.371 0.878 . . . . 2.8900000000000001 113.371 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.404 ' HE3' ' O ' ' A' ' 38' ' ' VAL . 15.9 ptp -65.48 -32.18 73.65 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.724 -0.39 . . . . 2.8799999999999999 110.302 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.93 -43.3 68.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.917 0.389 . . . . 3.6000000000000001 111.097 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 10.9 mm-40 -68.53 -44.56 74.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.875 -0.602 . . . . 4.0899999999999999 110.605 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.1 mt -80.77 0.66 33.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.476 -0.784 . . . . 3.71 110.908 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 3.4 t-20 . . . . . 0 N--CA 1.474 0.734 0 O-C-N 123.791 0.682 . . . . 4.1799999999999997 110.096 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 24.3 p . . . . . 0 CA--C 1.502 -0.891 0 N-CA-C 105.844 -1.91 . . . . 3.1699999999999999 105.844 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.798 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -61.25 -20.23 62.59 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 118.588 -1.245 . . . . 2.5600000000000001 109.487 178.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.6 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.1 -38.85 92.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.696 -1.138 . . . . 4.2800000000000002 110.014 176.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' B' ' 5' ' ' THR . 24.9 m-20 -63.66 -43.2 97.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.998 -1.455 . . . . 3.77 109.584 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' B' ' 42' ' ' MET . 82.8 t -68.43 -40.53 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 N-CA-C 108.753 -0.832 . . . . 2.6800000000000002 108.753 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.639 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -59.77 -47.37 85.98 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.155 -1.384 . . . . 3.1299999999999999 111.179 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -64.19 -50.37 68.35 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.338 -0.847 . . . . 5.21 109.552 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.841 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 41.7 t80 -60.14 -28.42 67.88 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.678 -1.146 . . . . 3.6200000000000001 111.359 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.42 -25.99 26.65 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.84 0.828 . . . . 2.9399999999999999 109.239 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.3 33.99 10.01 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 114.29 -1.323 . . . . 3.6600000000000001 111.135 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.676 ' HB ' HG21 ' B' ' 19' ' ' THR . 11.5 m -142.24 151.29 18.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.126 -0.537 . . . . 3.5299999999999998 112.405 -176.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.5 m -50.36 163.3 0.17 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.963 0.887 . . . . 4.3799999999999999 110.152 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.798 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 56.8 t80 -56.68 -57.12 13.78 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 114.676 -1.147 . . . . 3.6200000000000001 110.937 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.642 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 1.2 tp60 -77.6 16.57 0.64 Allowed 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 125.081 1.488 . . . . 5.04 113.916 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.676 HG21 ' HB ' ' B' ' 15' ' ' VAL . 63.4 m -82.02 -58.25 3.05 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 102.565 -3.124 . . . . 3.7799999999999998 102.565 171.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.83 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -77.36 -39.87 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-N 110.1 -3.227 . . . . 2.9300000000000002 112.052 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.642 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 46.6 m -61.57 -31.91 71.97 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.015 -1.053 . . . . 3.23 110.046 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.87 -30.25 66.59 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.13 -1.063 . . . . 5.4000000000000004 108.13 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.74 HG11 HG21 ' B' ' 38' ' ' VAL . 87.7 t -66.05 -51.06 64.58 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 114.836 -1.075 . . . . 3.1800000000000002 108.339 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 CA--C 1.53 0.206 0 CA-C-N 114.669 -1.15 . . . . 3.1200000000000001 111.727 178.688 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.528 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 8.4 mtp180 . . . . . 0 C--O 1.226 -0.16 0 CA-C-O 120.632 0.253 . . . . 3.9100000000000001 110.572 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -66.43 -39.02 88.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.32 0.581 . . . . 2.9399999999999999 110.384 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -70.93 -44.91 65.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.379 -0.828 . . . . 3.1000000000000001 111.243 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.83 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -68.2 -43.88 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.398 -0.365 . . . . 2.3300000000000001 110.081 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -60.03 -41.15 91.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.909 -0.775 . . . . 3.0 108.909 177.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.624 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.43 -53.52 53.7 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.918 -0.771 . . . . 2.6499999999999999 108.918 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.841 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.46 -51.86 51.35 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 113.494 0.924 . . . . 2.6800000000000002 113.494 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.458 ' HA ' HG22 ' B' ' 9' ' ' VAL . 17.3 ptp -65.22 -32.28 73.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.74 0.305 . . . . 2.7400000000000002 110.645 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.95 -42.43 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 3.4300000000000002 111.218 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.1 mm-40 -68.97 -44.46 72.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.286 0.565 . . . . 3.8100000000000001 110.558 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.9 mt . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.319 -0.855 . . . . 3.4700000000000002 111.173 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.5 p . . . . . 0 N--CA 1.442 -0.864 0 N-CA-C 105.989 -1.856 . . . . 3.5499999999999998 105.989 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.653 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 1.9 mt -59.96 -23.84 63.92 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.699 -0.8 . . . . 2.8500000000000001 111.162 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -65.23 -38.04 89.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.605 -0.725 . . . . 4.3899999999999997 110.316 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -65.69 -44.77 85.18 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 114.502 -1.226 . . . . 4.1299999999999999 110.007 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 41' ' ' ALA . 94.3 t -68.42 -40.72 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 0 N-CA-C 108.988 -0.745 . . . . 2.9100000000000001 108.988 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.35 -47.02 85.14 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.639 -1.164 . . . . 3.1400000000000001 111.35 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -69.26 -49.48 55.76 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.612 -0.514 . . . . 5.2400000000000002 109.612 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.834 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.5 t80 -60.07 -27.3 66.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.496 -0.775 . . . . 3.8199999999999998 111.547 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.79 -28.24 24.65 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.528 0.68 . . . . 2.8700000000000001 109.643 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 36.06 8.39 Favored Glycine 0 N--CA 1.439 -1.112 0 CA-C-N 114.915 -1.038 . . . . 3.2799999999999998 111.049 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.915 HG11 HG23 ' A' ' 34' ' ' THR . 5.6 m -139.29 147.39 24.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 114.401 -0.9 . . . . 3.3900000000000001 110.361 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 m -55.86 148.98 15.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.494 0.664 . . . . 4.3399999999999999 110.211 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.653 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.8 t80 -52.62 -51.91 57.85 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.972 -1.013 . . . . 3.71 112.318 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -61.79 -23.12 66.0 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.189 -0.914 . . . . 5.5 111.248 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.1 m -67.75 -60.87 2.19 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.317 -0.401 . . . . 3.6499999999999999 109.946 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.589 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -68.4 -29.09 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.266 -0.424 . . . . 2.8500000000000001 111.378 -179.391 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 t -56.09 -44.41 78.99 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.532 -0.544 . . . . 3.1899999999999999 109.532 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -30.31 66.97 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.349 -0.611 . . . . 4.4400000000000004 109.349 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.845 HG11 HG21 ' A' ' 38' ' ' VAL . 71.6 t -65.56 -47.16 87.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.305 -0.861 . . . . 2.9100000000000001 110.615 -177.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.009 -0.996 . . . . 2.7200000000000002 112.531 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.915 HG23 HG11 ' A' ' 15' ' ' VAL . 64.8 m . . . . . 0 N--CA 1.444 -0.771 0 N-CA-C 111.718 0.266 . . . . 2.8599999999999999 111.718 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.538 ' O ' HG22 ' A' ' 38' ' ' VAL . 6.2 ttm180 -65.24 -45.73 83.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.795 0.331 . . . . 4.1600000000000001 111.054 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -28.82 67.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.082 -0.508 . . . . 3.5499999999999998 110.124 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -69.93 -46.32 65.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.07 -0.514 . . . . 2.8399999999999999 109.815 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.845 HG21 HG11 ' A' ' 23' ' ' VAL . 2.4 m -65.71 -43.99 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.986 -0.746 . . . . 2.2599999999999998 108.986 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.7 mt-10 -59.96 -43.67 94.9 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.17 -0.923 . . . . 3.27 109.968 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -63.08 -52.52 62.35 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.153 -0.684 . . . . 2.8599999999999999 109.153 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.834 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -52.81 -51.92 58.93 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.27 0.841 . . . . 2.8900000000000001 113.27 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.5 ptp -64.6 -31.61 72.91 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.028 -0.269 . . . . 2.8799999999999999 110.395 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.71 -43.75 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 3.6000000000000001 111.088 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 37.2 mm-40 -68.9 -44.86 72.31 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.829 -0.623 . . . . 4.0899999999999999 111.223 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.8 mt -80.59 -0.15 36.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.513 -0.767 . . . . 3.71 110.474 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.8 t30 . . . . . 0 N--CA 1.471 0.61 0 C-N-CA 123.701 0.8 . . . . 4.1799999999999997 110.331 -179.248 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.5 p . . . . . 0 CA--C 1.499 -1.015 0 N-CA-C 105.814 -1.921 . . . . 3.1699999999999999 105.814 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.71 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.5 mt -60.91 -22.14 64.06 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 118.861 -1.136 . . . . 2.5600000000000001 109.403 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.452 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -62.8 -39.8 95.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.738 -1.119 . . . . 4.2800000000000002 109.279 177.583 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.25 -44.33 92.14 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 114.379 -1.282 . . . . 3.77 109.137 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' B' ' 42' ' ' MET . 75.3 t -67.99 -43.34 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.061 -0.972 . . . . 2.6800000000000002 108.932 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.467 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.75 -46.35 84.61 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.295 -1.321 . . . . 3.1299999999999999 111.541 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -49.87 70.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.365 0.602 . . . . 5.21 109.407 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.788 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.0 t80 -61.16 -29.54 69.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.812 -1.086 . . . . 3.6200000000000001 111.444 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.85 -26.97 31.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.149 -0.686 . . . . 2.9399999999999999 109.149 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.22 31.74 16.04 Favored Glycine 0 CA--C 1.498 -0.979 0 CA-C-N 114.75 -1.114 . . . . 3.6600000000000001 111.099 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.636 ' HB ' HG21 ' B' ' 19' ' ' THR . 6.0 m -141.49 148.46 21.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.306 -0.947 . . . . 3.5299999999999998 111.007 -177.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.553 ' HB2' ' OG1' ' B' ' 19' ' ' THR . 4.8 m -47.89 155.06 0.46 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.141 0.496 . . . . 4.3799999999999999 111.066 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.71 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.7 t80 -52.87 -60.97 2.61 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.862 -1.063 . . . . 3.6200000000000001 110.136 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 1.023 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -71.3 3.52 3.6 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 123.8 0.687 . . . . 5.04 111.232 177.76 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.673 ' O ' HG23 ' B' ' 23' ' ' VAL . 52.5 m -71.13 -56.11 6.78 Favored 'General case' 0 N--CA 1.423 -1.779 0 N-CA-C 103.41 -2.811 . . . . 3.7799999999999998 103.41 174.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.782 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 1.4 m -80.21 -32.9 13.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 112.163 -2.289 . . . . 2.9300000000000002 112.858 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 1.023 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 41.3 t -62.92 -35.78 81.2 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 120.937 0.399 . . . . 3.23 110.183 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.5 OUTLIER -67.72 -30.52 70.03 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 106.815 -1.55 . . . . 5.4000000000000004 106.815 178.023 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.782 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 98.6 t -66.19 -51.65 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 114.188 -1.369 . . . . 3.1800000000000002 109.332 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 114.541 -1.209 . . . . 3.1200000000000001 112.312 179.537 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.546 ' O ' HG22 ' B' ' 38' ' ' VAL . 6.4 ttm-85 . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.853 0.359 . . . . 3.9100000000000001 111.195 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' B' ' 36' ' ' GLU . 7.4 pt-20 -67.8 -29.56 68.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.041 -0.527 . . . . 2.9399999999999999 110.865 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -72.22 -43.14 64.87 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.252 -0.277 . . . . 3.1000000000000001 110.252 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.77 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.6 m -68.67 -43.5 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.022 -0.733 . . . . 2.3300000000000001 109.022 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.76 -41.09 90.27 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.448 -0.797 . . . . 3.0 109.027 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.646 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.78 -53.28 56.74 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.053 -0.721 . . . . 2.6499999999999999 109.053 177.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.788 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.28 -51.26 55.79 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 113.048 0.758 . . . . 2.6800000000000002 113.048 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.467 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.8 ptp -64.82 -32.32 73.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.246 -0.279 . . . . 2.7400000000000002 110.246 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.34 -43.66 66.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.416 -0.356 . . . . 3.4300000000000002 111.316 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 3.9 mm-40 -69.26 -45.66 69.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.905 -0.589 . . . . 3.8100000000000001 111.173 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.5 mt . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.749 -0.659 . . . . 3.4700000000000002 110.892 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 CA--C 1.507 -0.698 0 N-CA-C 105.197 -2.149 . . . . 3.5499999999999998 105.197 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.658 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.2 mt -60.56 -21.1 62.18 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 118.71 -1.196 . . . . 2.8500000000000001 111.529 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -65.0 -38.44 90.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.637 -0.71 . . . . 4.3899999999999997 111.05 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -65.61 -45.78 81.82 Favored 'General case' 0 CA--C 1.507 -0.673 0 CA-C-N 114.461 -1.245 . . . . 4.1299999999999999 110.785 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 42' ' ' MET . 90.7 t -67.17 -39.41 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-O 121.735 0.778 . . . . 2.9100000000000001 108.916 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -59.45 -46.83 87.66 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.352 -1.294 . . . . 3.1400000000000001 111.148 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -67.35 -49.36 64.36 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.29 -0.633 . . . . 5.2400000000000002 109.29 -178.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.787 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 47.7 t80 -61.24 -30.07 70.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.287 -0.869 . . . . 3.8199999999999998 111.74 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.693 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -81.68 -27.29 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.815 0.817 . . . . 2.8700000000000001 109.485 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.0 34.16 9.09 Favored Glycine 0 N--CA 1.438 -1.177 0 CA-C-N 114.678 -1.146 . . . . 3.2799999999999998 110.305 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.625 HG21 HG12 ' A' ' 38' ' ' VAL . 2.0 m -140.14 146.85 24.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.284 -0.958 . . . . 3.3900000000000001 110.774 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -55.02 149.67 11.53 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.661 0.744 . . . . 4.3399999999999999 110.72 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.658 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 64.0 t80 -49.7 -50.93 41.97 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.328 -1.306 . . . . 3.71 112.285 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.505 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -63.04 -27.58 69.51 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.478 -0.783 . . . . 5.5 112.402 -178.409 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.578 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.5 m -63.08 -61.85 2.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.713 0.292 . . . . 3.6499999999999999 110.826 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.739 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 1.6 m -69.22 -29.33 42.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.393 -0.367 . . . . 2.8500000000000001 111.413 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.2 t -57.97 -45.56 86.53 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.202 -0.666 . . . . 3.1899999999999999 109.202 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.81 -24.04 62.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.583 -0.735 . . . . 4.4400000000000004 110.027 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.82 HG11 HG21 ' A' ' 38' ' ' VAL . 48.0 t -65.55 -51.27 65.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 109.176 -0.676 . . . . 2.9100000000000001 109.176 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.7 t . . . . . 0 CA--C 1.535 0.392 0 CA-C-N 115.321 -0.854 . . . . 2.7200000000000002 110.961 178.745 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.913 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 2.1 m . . . . . 0 N--CA 1.437 -1.123 0 N-CA-C 111.645 0.239 . . . . 2.8599999999999999 111.645 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 12.7 mtm180 -58.76 -46.47 87.41 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.44 -0.345 . . . . 4.1600000000000001 110.417 -178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' A' ' 36' ' ' GLU . 4.1 pt-20 -67.96 -28.84 67.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.867 -0.606 . . . . 3.5499999999999998 111.035 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.913 ' HD2' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -74.6 -41.68 60.01 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.54 -0.541 . . . . 2.8399999999999999 109.54 179.231 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.82 HG21 HG11 ' A' ' 23' ' ' VAL . 2.3 m -68.75 -44.53 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 N-CA-C 108.309 -0.997 . . . . 2.2599999999999998 108.309 177.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.551 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -57.28 -45.28 84.24 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.133 -0.939 . . . . 3.27 109.515 177.637 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.69 -54.81 40.73 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 109.072 -0.714 . . . . 2.8599999999999999 109.072 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.787 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.55 -51.03 51.73 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 113.117 0.784 . . . . 2.8900000000000001 113.117 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.458 ' N ' HG13 ' A' ' 9' ' ' VAL . 15.1 ptp -64.85 -32.07 73.59 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.842 -0.343 . . . . 2.8799999999999999 110.279 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.87 -44.91 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 3.6000000000000001 111.067 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.41 -43.14 74.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.818 -0.628 . . . . 4.0899999999999999 110.729 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -81.22 0.09 38.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.986 -0.552 . . . . 3.71 110.926 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.51 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 3.9 t30 . . . . . 0 N--CA 1.474 0.754 0 O-C-N 123.708 0.63 . . . . 4.1799999999999997 110.624 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.439 -0.995 0 N-CA-C 104.578 -2.379 . . . . 3.1699999999999999 104.578 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.815 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -60.03 -20.63 58.89 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.279 -1.368 . . . . 2.5600000000000001 110.381 -178.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.81 -33.93 76.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.78 -1.1 . . . . 4.2800000000000002 110.159 177.249 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 5' ' ' THR . 1.7 m-20 -65.4 -46.3 80.59 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.642 -1.163 . . . . 3.77 109.921 -178.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' B' ' 42' ' ' MET . 95.9 t -67.84 -42.08 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 114.732 -1.122 . . . . 2.6800000000000002 109.323 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.568 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.19 -46.2 86.22 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.216 -1.356 . . . . 3.1299999999999999 111.273 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -49.99 65.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.481 0.658 . . . . 5.21 109.478 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.853 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 35.6 t80 -60.09 -28.83 68.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.956 -1.02 . . . . 3.6200000000000001 111.587 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.97 -26.12 27.33 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.509 0.671 . . . . 2.9399999999999999 109.562 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.49 31.77 15.3 Favored Glycine 0 CA--C 1.497 -1.08 0 CA-C-N 114.697 -1.138 . . . . 3.6600000000000001 111.242 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.697 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.0 m -139.68 149.15 22.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 114.563 -0.819 . . . . 3.5299999999999998 111.303 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.481 ' O ' ' HB ' ' B' ' 19' ' ' THR . 5.6 m -47.82 156.77 0.31 Allowed 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.111 0.481 . . . . 4.3799999999999999 110.891 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.815 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 65.6 t80 -54.98 -56.83 15.38 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.092 -0.958 . . . . 3.6200000000000001 109.591 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.853 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.285 0.0 OUTLIER -76.79 11.04 1.87 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 118.367 -1.333 . . . . 5.04 113.538 177.631 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.697 HG21 ' HB ' ' B' ' 15' ' ' VAL . 27.0 m -72.26 -60.14 2.38 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 102.689 -3.078 . . . . 3.7799999999999998 102.689 172.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.774 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.0 OUTLIER -77.25 -33.58 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.132 0 CA-C-N 111.697 -2.502 . . . . 2.9300000000000002 112.252 178.077 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.853 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 17.9 t -62.93 -33.97 76.47 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.454 -0.943 . . . . 3.23 108.454 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 2.5 ttm180 -69.54 -30.78 68.67 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.498 -1.297 . . . . 5.4000000000000004 107.498 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.828 HG11 HG21 ' B' ' 38' ' ' VAL . 72.3 t -65.19 -51.42 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.3 -1.318 . . . . 3.1800000000000002 108.209 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 CA--C 1.537 0.478 0 CA-C-N 115.344 -0.844 . . . . 3.1200000000000001 111.291 177.907 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 51.8 mtm180 . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 121.22 0.533 . . . . 3.9100000000000001 109.976 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -68.06 -32.42 72.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.138 -0.937 . . . . 2.9399999999999999 110.323 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -71.45 -47.13 57.69 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.93 -0.577 . . . . 3.1000000000000001 110.561 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.828 HG21 HG11 ' B' ' 23' ' ' VAL . 3.0 m -66.74 -43.56 89.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.439 -0.578 . . . . 2.3300000000000001 109.439 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.9 mt-10 -60.13 -43.73 95.45 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.842 -0.617 . . . . 3.0 109.456 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.75 -51.88 65.39 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.012 -0.736 . . . . 2.6499999999999999 109.012 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.853 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.04 -51.39 57.76 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.985 0.735 . . . . 2.6800000000000002 112.985 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.466 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.1 ptp -64.99 -31.76 73.15 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.233 -0.284 . . . . 2.7400000000000002 110.233 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 -45.7 63.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.872 0.368 . . . . 3.4300000000000002 111.282 -178.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 41.1 mm-40 -66.26 -44.61 83.18 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.921 -0.582 . . . . 3.8100000000000001 110.841 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.4 mt . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.309 -0.859 . . . . 3.4700000000000002 110.849 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.9 p . . . . . 0 CA--C 1.504 -0.824 0 N-CA-C 107.416 -1.327 . . . . 3.5499999999999998 107.416 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.682 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.5 mt -59.53 -24.5 63.73 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.435 -0.906 . . . . 2.8500000000000001 110.611 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -65.32 -37.52 87.36 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.784 0.802 . . . . 4.3899999999999997 110.054 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.04 -45.31 85.92 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.076 -1.42 . . . . 4.1299999999999999 109.913 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG13 ' HB3' ' A' ' 41' ' ' ALA . 93.4 t -68.65 -42.06 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 CA-C-N 115.608 -0.724 . . . . 2.9100000000000001 109.179 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.39 -46.85 82.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.628 -1.169 . . . . 3.1400000000000001 111.258 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.6 -49.79 61.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.743 -0.662 . . . . 5.2400000000000002 109.666 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.83 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.1 t80 -61.72 -27.65 68.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.138 -0.937 . . . . 3.8199999999999998 111.549 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.57 -27.41 27.3 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.572 0.701 . . . . 2.8700000000000001 109.77 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.3 35.52 8.72 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 114.792 -1.095 . . . . 3.2799999999999998 110.863 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.732 HG11 HG23 ' A' ' 34' ' ' THR . 3.8 m -139.35 146.06 26.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 114.416 -0.892 . . . . 3.3900000000000001 110.378 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.424 ' O ' ' HB ' ' A' ' 19' ' ' THR . 78.7 p -57.16 145.77 30.22 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.284 -0.567 . . . . 4.3399999999999999 109.998 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.682 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 84.7 t80 -46.53 -51.26 15.83 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.038 -0.983 . . . . 3.71 112.968 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -20.13 65.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.103 -0.499 . . . . 5.5 111.904 -178.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 23' ' ' VAL . 77.8 m -68.93 -61.28 1.86 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.826 -0.435 . . . . 3.6499999999999999 109.826 178.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -68.75 -29.01 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 2.8500000000000001 111.501 -179.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -56.98 -45.32 83.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.733 -0.469 . . . . 3.1899999999999999 109.733 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.28 -29.46 66.23 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.275 -0.639 . . . . 4.4400000000000004 109.275 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.035 HG11 HG21 ' A' ' 38' ' ' VAL . 53.7 t -65.95 -49.91 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 114.811 -1.086 . . . . 2.9100000000000001 109.718 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.11 -0.95 . . . . 2.7200000000000002 111.56 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.732 HG23 HG11 ' A' ' 15' ' ' VAL . 4.4 m . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 111.754 0.279 . . . . 2.8599999999999999 111.754 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 38' ' ' VAL . 71.3 mtm-85 -65.02 -37.37 87.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.708 -0.478 . . . . 4.1600000000000001 109.708 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -66.66 -34.16 77.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.57 -0.741 . . . . 3.5499999999999998 109.726 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -73.1 -47.69 42.18 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.496 -0.775 . . . . 2.8399999999999999 110.541 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.035 HG21 HG11 ' A' ' 23' ' ' VAL . 2.8 m -63.87 -46.4 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 109.179 -0.674 . . . . 2.2599999999999998 109.179 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 16.1 mt-10 -58.66 -48.59 80.54 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.468 -0.787 . . . . 3.27 109.81 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.635 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -58.98 -54.21 49.69 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.39 -0.596 . . . . 2.8599999999999999 109.39 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.83 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.6 -52.17 49.71 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 113.421 0.897 . . . . 2.8900000000000001 113.421 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.401 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.6 ptp -65.84 -32.54 74.12 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.511 -0.476 . . . . 2.8799999999999999 110.308 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.83 -44.02 67.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 3.6000000000000001 111.227 -178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.2 mm-40 -68.27 -44.21 76.05 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.818 -0.628 . . . . 4.0899999999999999 110.577 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.6 mt -80.48 0.25 34.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.578 -0.737 . . . . 3.71 110.691 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.475 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 6.3 t30 . . . . . 0 N--CA 1.473 0.68 0 O-C-N 123.722 0.639 . . . . 4.1799999999999997 110.164 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 105.916 -1.883 . . . . 3.1699999999999999 105.916 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.875 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.1 mt -60.11 -21.87 62.08 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.187 -1.405 . . . . 2.5600000000000001 109.922 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -36.16 83.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.761 -1.109 . . . . 4.2800000000000002 109.962 177.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' B' ' 5' ' ' THR . 4.9 m-20 -65.45 -44.04 88.52 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.429 -1.26 . . . . 3.77 109.867 -178.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' B' ' 42' ' ' MET . 96.0 t -67.29 -41.6 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 115.192 -0.913 . . . . 2.6800000000000002 109.254 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.486 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.15 -46.33 90.04 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.189 -1.369 . . . . 3.1299999999999999 111.444 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -65.03 -49.37 70.42 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.193 -0.669 . . . . 5.21 109.193 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.762 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 45.2 t80 -60.4 -28.12 67.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.828 -1.078 . . . . 3.6200000000000001 111.477 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.482 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -86.16 -26.09 25.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.743 0.782 . . . . 2.9399999999999999 109.562 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.64 31.98 16.95 Favored Glycine 0 CA--C 1.5 -0.869 0 CA-C-N 114.582 -1.19 . . . . 3.6600000000000001 111.253 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.696 ' HB ' HG21 ' B' ' 19' ' ' THR . 16.9 m -139.98 150.61 21.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.212 -0.994 . . . . 3.5299999999999998 111.836 -176.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' B' ' 19' ' ' THR . 4.0 m -50.75 151.31 2.47 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.439 0.638 . . . . 4.3799999999999999 110.591 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.875 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.9 t80 -47.91 -58.44 4.39 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.315 -0.857 . . . . 3.6200000000000001 110.666 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.917 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.4 11.58 0.95 Allowed 'General case' 0 C--O 1.245 0.82 0 N-CA-C 113.969 1.099 . . . . 5.04 113.969 -179.106 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.696 HG21 ' HB ' ' B' ' 15' ' ' VAL . 98.9 m -77.51 -63.04 1.47 Allowed 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 102.066 -3.309 . . . . 3.7799999999999998 102.066 173.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 1.035 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.8 OUTLIER -75.63 -30.54 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 112.586 -2.097 . . . . 2.9300000000000002 112.056 176.66 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.917 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 8.6 t -63.69 -37.11 86.12 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.019 -0.734 . . . . 3.23 109.019 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -68.34 -28.31 67.03 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 107.595 -1.261 . . . . 5.4000000000000004 107.595 178.313 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.783 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 69.8 t -65.12 -51.03 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.925 0 CA-C-N 114.429 -1.259 . . . . 3.1800000000000002 108.564 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 CA--C 1.535 0.392 0 CA-C-N 115.295 -0.866 . . . . 3.1200000000000001 111.446 177.776 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 35' ' ' ARG . 16.5 mtm180 . . . . . 0 CA--C 1.513 -0.448 0 CA-C-O 120.98 0.419 . . . . 3.9100000000000001 110.702 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -66.08 -40.04 90.51 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.476 -0.784 . . . . 2.9399999999999999 111.39 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -82.07 -35.96 28.13 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 119.742 -0.783 . . . . 3.1000000000000001 111.995 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 1.035 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 4.4 m -65.25 -46.97 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 109.043 -0.725 . . . . 2.3300000000000001 109.043 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.429 ' N ' HG23 ' B' ' 38' ' ' VAL . 11.6 mt-10 -63.39 -37.16 86.21 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.054 -0.721 . . . . 3.0 109.054 177.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.31 -56.11 25.43 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.086 -1.079 . . . . 2.6499999999999999 108.086 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.762 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.25 -51.22 46.43 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.498 -0.773 . . . . 2.6800000000000002 112.861 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.456 ' HA ' HG22 ' B' ' 9' ' ' VAL . 17.1 ptp -64.62 -32.69 74.45 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.577 -0.449 . . . . 2.7400000000000002 110.265 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.31 -45.86 62.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 3.4300000000000002 111.119 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -41.75 88.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.838 -0.619 . . . . 3.8100000000000001 110.177 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.3 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.588 -0.733 . . . . 3.4700000000000002 110.585 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.438 -1.03 0 N-CA-C 105.975 -1.861 . . . . 3.5499999999999998 105.975 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.685 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.8 mt -58.29 -24.26 58.96 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 119.144 -1.023 . . . . 2.8500000000000001 111.687 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -64.63 -35.86 82.38 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.73 0.776 . . . . 4.3899999999999997 110.553 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -66.12 -46.53 77.24 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 114.469 -1.241 . . . . 4.1299999999999999 110.408 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.55 HG13 ' HB3' ' A' ' 41' ' ' ALA . 95.2 t -67.85 -41.25 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 CA-C-N 115.514 -0.766 . . . . 2.9100000000000001 109.368 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.545 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.74 -46.4 84.53 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.666 -1.152 . . . . 3.1400000000000001 111.32 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -49.96 57.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.929 -0.578 . . . . 5.2400000000000002 109.714 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.828 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 49.7 t80 -61.34 -27.96 68.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.156 -0.929 . . . . 3.8199999999999998 111.673 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.743 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -84.03 -28.51 27.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.621 0.724 . . . . 2.8700000000000001 109.749 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.3 36.4 7.56 Favored Glycine 0 N--CA 1.44 -1.059 0 N-CA-C 110.563 -1.015 . . . . 3.2799999999999998 110.563 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.678 HG11 HG23 ' A' ' 34' ' ' THR . 2.2 m -140.61 147.1 23.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.368 -0.916 . . . . 3.3900000000000001 110.657 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 m -56.01 150.08 14.28 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.652 0.739 . . . . 4.3399999999999999 110.406 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.685 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 78.3 t80 -52.63 -50.2 63.6 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 114.393 -1.276 . . . . 3.71 111.657 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -21.76 64.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.387 -0.824 . . . . 5.5 111.76 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.5 m -70.15 -61.86 1.61 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.776 0.322 . . . . 3.6499999999999999 110.504 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.545 HG11 ' HA ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -69.13 -29.34 42.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.045 -0.525 . . . . 2.8500000000000001 111.831 -179.159 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 t -58.7 -42.63 89.07 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.341 -0.615 . . . . 3.1899999999999999 109.341 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -69.93 -29.9 67.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.014 -0.735 . . . . 4.4400000000000004 109.014 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.965 HG11 HG21 ' A' ' 38' ' ' VAL . 76.8 t -66.47 -49.55 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.725 -1.125 . . . . 2.9100000000000001 110.176 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.019 -0.991 . . . . 2.7200000000000002 111.609 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.996 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 55.3 m . . . . . 0 N--CA 1.442 -0.859 0 N-CA-C 112.426 0.528 . . . . 2.8599999999999999 112.426 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' HG22 ' A' ' 38' ' ' VAL . 20.7 mtm-85 -64.89 -39.55 93.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.402 0.62 . . . . 4.1600000000000001 109.764 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -67.06 -30.82 70.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.816 -1.084 . . . . 3.5499999999999998 110.497 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.996 ' HD2' ' HA ' ' A' ' 34' ' ' THR . 1.6 ptmt -80.67 -39.74 26.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.567 -0.288 . . . . 2.8399999999999999 110.453 -178.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.965 HG21 HG11 ' A' ' 23' ' ' VAL . 3.6 m -66.71 -47.43 83.09 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 N-CA-C 108.773 -0.825 . . . . 2.2599999999999998 108.773 178.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -61.72 -40.33 94.67 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.948 -0.569 . . . . 3.27 109.838 178.192 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.638 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -62.15 -53.82 49.85 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.914 -0.773 . . . . 2.8599999999999999 108.914 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.828 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.74 -51.46 56.04 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.826 -0.624 . . . . 2.8900000000000001 112.596 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.2 ptp -64.8 -31.86 73.29 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 120.8 -0.36 . . . . 2.8799999999999999 110.204 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.24 66.66 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.0 0.429 . . . . 3.6000000000000001 111.222 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 14.6 mm-40 -69.15 -44.77 71.6 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.944 -0.571 . . . . 4.0899999999999999 110.57 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -80.55 -1.09 40.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.536 -0.756 . . . . 3.71 109.975 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 t30 . . . . . 0 N--CA 1.468 0.433 0 C-N-CA 124.138 0.975 . . . . 4.1799999999999997 111.398 -179.812 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -0.978 0 N-CA-C 106.763 -1.569 . . . . 3.1699999999999999 106.763 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.885 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.5 mt -59.67 -22.7 62.31 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 118.705 -1.198 . . . . 2.5600000000000001 110.077 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.486 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.0 OUTLIER -65.39 -36.3 83.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.85 -1.068 . . . . 4.2800000000000002 109.965 176.692 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' B' ' 5' ' ' THR . 4.6 m-20 -65.9 -43.39 88.37 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.455 -1.248 . . . . 3.77 109.584 -178.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' B' ' 42' ' ' MET . 76.1 t -68.61 -42.74 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-O 121.772 0.796 . . . . 2.6800000000000002 109.075 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.475 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.48 -46.42 83.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.241 -1.345 . . . . 3.1299999999999999 111.819 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.27 -48.56 67.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.243 -0.651 . . . . 5.21 109.243 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.798 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.2 t80 -59.75 -28.66 67.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.996 -1.002 . . . . 3.6200000000000001 111.302 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.412 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -85.01 -26.91 26.77 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.461 0.648 . . . . 2.9399999999999999 109.277 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.56 31.11 16.81 Favored Glycine 0 CA--C 1.498 -1.018 0 CA-C-N 114.764 -1.107 . . . . 3.6600000000000001 111.263 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.674 ' HB ' HG21 ' B' ' 19' ' ' THR . 13.3 m -139.14 149.78 23.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.461 -0.87 . . . . 3.5299999999999998 110.334 -177.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.68 158.92 0.41 Allowed 'General case' 0 C--O 1.25 1.089 0 CA-C-O 121.661 0.744 . . . . 4.3799999999999999 109.762 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.885 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 71.1 t80 -53.25 -60.25 3.54 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-N 114.993 -1.003 . . . . 3.6200000000000001 110.11 -178.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.716 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -75.73 13.89 0.74 Allowed 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 114.642 1.349 . . . . 5.04 114.642 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.689 ' O ' HG23 ' B' ' 23' ' ' VAL . 90.1 m -77.69 -59.32 2.83 Favored 'General case' 0 CA--C 1.49 -1.342 1 N-CA-C 99.851 -4.129 . . . . 3.7799999999999998 99.851 171.316 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.825 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 0.5 OUTLIER -76.31 -33.72 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 112.957 -1.929 . . . . 2.9300000000000002 113.206 176.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.716 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 33.1 t -64.95 -36.35 84.1 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.707 -1.245 . . . . 3.23 109.563 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 2.7 ttm180 -63.47 -33.6 75.91 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 106.927 -1.509 . . . . 5.4000000000000004 106.927 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.894 HG11 HG21 ' B' ' 38' ' ' VAL . 54.8 t -65.31 -51.76 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 113.759 -1.564 . . . . 3.1800000000000002 109.533 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 114.751 -1.113 . . . . 3.1200000000000001 112.442 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 120.892 0.377 . . . . 3.9100000000000001 110.294 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.14 -34.21 77.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.618 -0.719 . . . . 2.9399999999999999 109.912 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -76.16 -44.39 38.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.984 -0.553 . . . . 3.1000000000000001 111.207 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.894 HG21 HG11 ' B' ' 23' ' ' VAL . 3.5 m -67.19 -46.34 84.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 110.117 -0.327 . . . . 2.3300000000000001 110.117 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.69 -37.88 88.2 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.507 -0.553 . . . . 3.0 109.507 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.595 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -63.24 -54.04 43.49 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 108.418 -0.956 . . . . 2.6499999999999999 108.418 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.798 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.43 -51.43 54.9 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.43 -0.804 . . . . 2.6800000000000002 112.794 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.439 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.7 ptp -65.05 -33.08 75.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.75 0.309 . . . . 2.7400000000000002 110.278 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.85 -43.07 69.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.908 0.385 . . . . 3.4300000000000002 111.059 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 7.4 mm-40 -67.74 -43.27 80.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.87 -0.605 . . . . 3.8100000000000001 110.931 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.7 mt . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.768 -0.651 . . . . 3.4700000000000002 110.902 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.775 0 N-CA-C 105.898 -1.89 . . . . 3.5499999999999998 105.898 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 3.7 mt -57.79 -23.43 52.38 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.856 -0.738 . . . . 2.8500000000000001 111.715 -178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -64.57 -38.7 91.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.864 0.84 . . . . 4.3899999999999997 110.293 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -65.72 -44.34 86.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.062 -1.426 . . . . 4.1299999999999999 109.819 -177.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 41' ' ' ALA . 89.5 t -68.62 -42.98 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 CA-C-O 121.537 0.684 . . . . 2.9100000000000001 109.41 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.583 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.06 -47.77 80.17 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.497 -1.229 . . . . 3.1400000000000001 111.529 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.48 -47.9 68.7 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.836 -0.62 . . . . 5.2400000000000002 109.643 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.753 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 55.6 t80 -62.29 -28.32 69.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.298 -0.865 . . . . 3.8199999999999998 111.679 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.06 -27.52 30.21 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.774 0.797 . . . . 2.8700000000000001 109.736 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.91 34.12 9.22 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 114.577 -1.192 . . . . 3.2799999999999998 110.909 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.842 HG11 HG23 ' A' ' 34' ' ' THR . 4.1 m -139.29 147.04 24.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 114.261 -0.97 . . . . 3.3900000000000001 110.178 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -55.45 149.38 13.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.766 0.793 . . . . 4.3399999999999999 110.722 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 65.5 t80 -51.58 -51.18 57.62 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.336 -1.302 . . . . 3.71 112.2 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HB2' HH21 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -62.02 -22.75 65.96 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.981 -1.009 . . . . 5.5 111.989 -179.145 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.2 m -69.93 -60.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.339 0.256 . . . . 3.6499999999999999 110.864 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.624 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 1.3 m -67.98 -28.52 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.414 -0.357 . . . . 2.8500000000000001 111.712 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.5 t -54.97 -45.04 74.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.508 -0.553 . . . . 3.1899999999999999 109.508 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.454 HH21 ' HB2' ' A' ' 18' ' ' GLN . 10.6 mtt180 -70.28 -27.84 64.73 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.801 -0.636 . . . . 4.4400000000000004 109.954 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.863 HG11 HG21 ' A' ' 38' ' ' VAL . 77.1 t -63.02 -48.9 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 115.333 -0.848 . . . . 2.9100000000000001 109.553 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t . . . . . 0 CA--C 1.535 0.371 0 CA-C-O 121.527 0.679 . . . . 2.7200000000000002 109.815 178.143 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.842 HG23 HG11 ' A' ' 15' ' ' VAL . 32.7 m . . . . . 0 N--CA 1.444 -0.727 0 N-CA-C 111.855 0.317 . . . . 2.8599999999999999 111.855 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.5 ' O ' HG22 ' A' ' 38' ' ' VAL . 7.0 mtm180 -61.67 -42.23 98.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.095 0.474 . . . . 4.1600000000000001 110.326 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' A' ' 36' ' ' GLU . 5.5 mm-40 -65.79 -30.07 70.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.186 -0.916 . . . . 3.5499999999999998 109.322 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -73.92 -46.2 45.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.819 -0.628 . . . . 2.8399999999999999 110.083 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.863 HG21 HG11 ' A' ' 23' ' ' VAL . 1.9 m -65.35 -46.35 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 109.286 -0.635 . . . . 2.2599999999999998 109.286 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -59.78 -40.93 89.9 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.271 -0.64 . . . . 3.27 109.271 178.027 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.89 -56.3 22.75 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 108.601 -0.888 . . . . 2.8599999999999999 108.601 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.753 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.53 -51.08 51.03 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 112.798 0.666 . . . . 2.8900000000000001 112.798 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.413 ' HA ' HG22 ' A' ' 9' ' ' VAL . 15.4 ptp -64.9 -32.16 73.74 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.825 -0.35 . . . . 2.8799999999999999 110.412 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.3 -45.34 63.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 3.6000000000000001 110.817 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.71 -42.77 81.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.703 -0.68 . . . . 4.0899999999999999 110.41 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.4 mt -80.59 0.08 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.701 -0.681 . . . . 3.71 110.482 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 123.331 0.652 . . . . 4.1799999999999997 111.008 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.437 -1.093 0 N-CA-C 105.909 -1.886 . . . . 3.1699999999999999 105.909 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.649 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.5 mt -59.24 -21.64 59.87 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.139 -1.025 . . . . 2.5600000000000001 110.251 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.622 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -64.3 -37.84 88.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.84 -1.073 . . . . 4.2800000000000002 109.34 177.065 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' B' ' 5' ' ' THR . 2.3 m-20 -66.44 -42.35 87.8 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.324 -1.307 . . . . 3.77 109.87 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' B' ' 42' ' ' MET . 73.0 t -67.86 -44.16 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 115.344 -0.844 . . . . 2.6800000000000002 108.78 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.527 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.0 -46.19 85.62 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.068 -1.424 . . . . 3.1299999999999999 111.368 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -63.71 -49.53 72.71 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.264 -0.643 . . . . 5.21 109.264 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.798 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.4 t80 -61.44 -27.28 68.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.874 -1.057 . . . . 3.6200000000000001 111.19 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -27.15 25.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.436 0.636 . . . . 2.9399999999999999 109.413 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.15 33.34 10.83 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 114.747 -1.115 . . . . 3.6600000000000001 111.553 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.618 ' HB ' HG21 ' B' ' 19' ' ' THR . 9.5 m -142.24 151.13 18.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 118.781 -0.628 . . . . 3.5299999999999998 111.726 -176.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' B' ' 19' ' ' THR . 26.5 p -54.63 160.53 1.79 Allowed 'General case' 0 C--N 1.346 0.456 0 CA-C-O 121.972 0.891 . . . . 4.3799999999999999 111.495 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.649 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 69.3 t80 -52.25 -58.41 6.71 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 114.432 -1.258 . . . . 3.6200000000000001 109.408 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.604 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 1.5 tp-100 -73.81 5.95 3.66 Favored 'General case' 0 N--CA 1.432 -1.338 0 O-C-N 123.902 0.751 . . . . 5.04 111.64 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.618 HG21 ' HB ' ' B' ' 15' ' ' VAL . 19.3 m -71.69 -63.24 1.17 Allowed 'General case' 0 C--N 1.303 -1.452 1 N-CA-C 99.68 -4.193 . . . . 3.7799999999999998 99.68 169.516 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.775 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.7 OUTLIER -77.3 -32.83 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 N-CA-C 116.42 2.007 . . . . 2.9300000000000002 116.42 179.241 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.604 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 12.1 t -62.45 -32.6 73.5 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.519 -0.919 . . . . 3.23 108.519 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -68.3 -30.71 69.77 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.055 -1.461 . . . . 5.4000000000000004 107.055 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.742 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 92.7 t -65.48 -51.17 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.194 0 CA-C-N 114.042 -1.435 . . . . 3.1800000000000002 108.24 177.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 CA--C 1.538 0.489 0 CA-C-N 114.845 -1.07 . . . . 3.1200000000000001 112.381 178.343 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.44 ' HA ' HG22 ' B' ' 38' ' ' VAL . 25.8 mtm-85 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.905 0.383 . . . . 3.9100000000000001 111.174 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -65.64 -33.3 75.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.678 -0.692 . . . . 2.9399999999999999 111.151 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -80.38 -43.64 20.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.34 -0.391 . . . . 3.1000000000000001 110.76 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.775 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.5 m -68.59 -46.89 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 2.3300000000000001 110.673 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.407 ' N ' HG23 ' B' ' 38' ' ' VAL . 19.3 mt-10 -62.53 -37.48 86.23 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.098 -0.704 . . . . 3.0 109.098 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.616 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.73 -53.03 60.58 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.587 -0.894 . . . . 2.6499999999999999 108.587 177.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.798 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.79 -51.92 52.84 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 113.042 0.756 . . . . 2.6800000000000002 113.042 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.438 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.7 ptp -64.4 -32.1 73.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.598 0.237 . . . . 2.7400000000000002 110.413 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.78 -44.39 66.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.427 -0.352 . . . . 3.4300000000000002 111.199 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 5.0 mm-40 -66.68 -44.04 82.83 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.35 0.595 . . . . 3.8100000000000001 110.452 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.439 -0.8 . . . . 3.4700000000000002 109.937 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 CA--C 1.502 -0.885 0 N-CA-C 106.761 -1.57 . . . . 3.5499999999999998 106.761 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.647 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.5 mt -59.79 -24.4 64.09 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 119.427 -0.909 . . . . 2.8500000000000001 110.889 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -65.08 -38.61 91.33 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.35 -0.841 . . . . 4.3899999999999997 110.465 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -64.86 -45.99 83.74 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 114.107 -1.406 . . . . 4.1299999999999999 110.245 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 41' ' ' ALA . 94.4 t -68.39 -40.67 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-O 121.504 0.669 . . . . 2.9100000000000001 109.405 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.647 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.77 -48.35 79.91 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.541 -1.209 . . . . 3.1400000000000001 111.338 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -66.81 -49.66 65.08 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.803 -0.635 . . . . 5.2400000000000002 109.563 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.793 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 58.6 t80 -61.54 -27.53 68.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.036 -0.983 . . . . 3.8199999999999998 111.75 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.473 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.81 -26.95 29.14 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.693 0.759 . . . . 2.8700000000000001 109.608 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.67 34.05 9.55 Favored Glycine 0 N--CA 1.437 -1.281 0 CA-C-N 114.576 -1.193 . . . . 3.2799999999999998 110.768 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.707 HG11 HG23 ' A' ' 34' ' ' THR . 4.4 m -138.72 145.52 27.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.379 -0.91 . . . . 3.3900000000000001 109.867 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 m -55.93 147.52 19.34 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.506 0.669 . . . . 4.3399999999999999 110.441 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.647 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 76.7 t80 -49.92 -50.54 45.94 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.717 -1.129 . . . . 3.71 111.736 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.76 -25.3 64.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.215 -0.902 . . . . 5.5 111.832 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -68.7 -61.38 1.84 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.431 -0.35 . . . . 3.6499999999999999 110.573 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.647 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -68.89 -29.47 43.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.166 -0.47 . . . . 2.8500000000000001 111.498 -179.386 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.492 ' HA ' HD13 ' A' ' 6' ' ' LEU . 48.3 t -59.22 -40.96 87.46 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.046 -0.724 . . . . 3.1899999999999999 109.046 177.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -30.4 67.45 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.379 -0.828 . . . . 4.4400000000000004 108.82 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.945 HG11 HG21 ' A' ' 38' ' ' VAL . 53.8 t -67.59 -51.03 55.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.807 -1.088 . . . . 2.9100000000000001 110.983 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.179 -0.918 . . . . 2.7200000000000002 111.956 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.707 HG23 HG11 ' A' ' 15' ' ' VAL . 9.5 m . . . . . 0 N--CA 1.44 -0.929 0 N-CA-C 111.318 0.118 . . . . 2.8599999999999999 111.318 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.516 ' O ' HG22 ' A' ' 38' ' ' VAL . 22.4 mtm180 -65.54 -37.84 87.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.377 0.608 . . . . 4.1600000000000001 109.433 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -68.37 -30.29 69.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.096 -0.956 . . . . 3.5499999999999998 110.324 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -76.08 -45.91 31.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 2.8399999999999999 110.171 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.945 HG21 HG11 ' A' ' 23' ' ' VAL . 3.1 m -62.71 -44.59 99.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 108.791 -0.818 . . . . 2.2599999999999998 108.791 178.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 1.5 mt-10 -62.26 -43.22 99.33 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.528 -0.76 . . . . 3.27 110.119 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.09 62.03 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.781 -0.822 . . . . 2.8599999999999999 108.781 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.793 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -53.06 -51.45 61.73 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.235 -0.893 . . . . 2.8900000000000001 112.779 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.0 ptp -64.53 -31.84 73.23 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.882 -0.327 . . . . 2.8799999999999999 110.41 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.54 -43.38 69.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.016 0.436 . . . . 3.6000000000000001 110.934 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.531 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 12.2 mm-40 -69.22 -44.01 72.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.802 -0.635 . . . . 4.0899999999999999 110.741 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.2 mt -80.94 0.53 34.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.535 -0.757 . . . . 3.71 110.814 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 8.1 t30 . . . . . 0 N--CA 1.471 0.59 0 C-N-CA 123.402 0.681 . . . . 4.1799999999999997 110.605 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 N--CA 1.437 -1.097 0 N-CA-C 104.951 -2.24 . . . . 3.1699999999999999 104.951 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.675 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.5 mt -60.42 -20.58 60.23 Favored 'General case' 0 C--N 1.307 -1.256 0 C-N-CA 119.003 -1.079 . . . . 2.5600000000000001 109.78 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.635 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -64.17 -36.53 84.35 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.995 -1.002 . . . . 4.2800000000000002 110.127 177.456 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.97 -44.69 88.53 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 114.738 -1.119 . . . . 3.77 109.447 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' B' ' 42' ' ' MET . 72.9 t -67.84 -41.83 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 CA-C-N 114.985 -1.007 . . . . 2.6800000000000002 108.9 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.539 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.48 -48.08 80.16 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.027 -1.442 . . . . 3.1299999999999999 111.665 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.15 -49.14 73.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.63 0.729 . . . . 5.21 109.218 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.765 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 43.2 t80 -60.82 -28.82 69.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.558 -1.201 . . . . 3.6200000000000001 111.589 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.38 -25.14 27.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.622 0.725 . . . . 2.9399999999999999 109.337 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.36 31.46 13.79 Favored Glycine 0 CA--C 1.501 -0.798 0 CA-C-N 114.366 -1.288 . . . . 3.6600000000000001 111.809 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.614 ' HB ' HG21 ' B' ' 19' ' ' THR . 6.6 m -139.85 151.8 22.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.784 -0.708 . . . . 3.5299999999999998 111.578 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 27.2 p -53.21 160.98 0.97 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.399 0.545 . . . . 4.3799999999999999 110.063 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.675 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 69.8 t80 -52.1 -59.44 4.37 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.074 -0.966 . . . . 3.6200000000000001 109.689 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.799 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -73.09 13.06 0.45 Allowed 'General case' 0 C--O 1.245 0.858 0 CA-C-N 114.824 -1.08 . . . . 5.04 113.369 178.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.614 HG21 ' HB ' ' B' ' 15' ' ' VAL . 55.2 m -79.07 -61.6 1.96 Allowed 'General case' 0 N--CA 1.398 -3.047 0 N-CA-C 100.695 -3.817 . . . . 3.7799999999999998 100.695 170.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -77.05 -33.14 20.09 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 CA-C-N 112.019 -2.355 . . . . 2.9300000000000002 113.08 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.799 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 66.1 m -63.13 -35.32 79.88 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 120.693 -1.254 . . . . 3.23 109.175 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.53 -31.74 72.65 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.852 -1.166 . . . . 5.4000000000000004 107.852 177.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.827 HG11 HG21 ' B' ' 38' ' ' VAL . 65.9 t -66.11 -51.63 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 114.013 -1.449 . . . . 3.1800000000000002 109.135 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 114.712 -1.131 . . . . 3.1200000000000001 112.219 179.448 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 25.3 mtm180 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.876 0.369 . . . . 3.9100000000000001 110.717 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.05 -34.7 78.26 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.43 -0.805 . . . . 2.9399999999999999 111.331 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -77.21 -42.57 36.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.184 -0.462 . . . . 3.1000000000000001 111.072 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -68.73 -45.26 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.798 -0.445 . . . . 2.3300000000000001 109.798 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.554 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.7 OUTLIER -58.99 -39.44 81.81 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.315 -0.624 . . . . 3.0 109.315 177.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.64 -54.98 27.27 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.168 -0.678 . . . . 2.6499999999999999 109.168 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.765 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.95 -51.03 56.52 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.482 -0.781 . . . . 2.6800000000000002 112.853 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.492 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.6 ptp -64.54 -32.15 73.67 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 121.187 -0.205 . . . . 2.7400000000000002 110.673 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.63 -43.32 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 3.4300000000000002 110.911 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.424 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -68.21 -43.85 77.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.746 -0.661 . . . . 3.8100000000000001 110.792 -179.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.5 mt . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.532 -0.758 . . . . 3.4700000000000002 110.973 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 p . . . . . 0 CA--C 1.502 -0.867 0 N-CA-C 107.402 -1.332 . . . . 3.5499999999999998 107.402 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.655 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 3.3 mt -59.92 -25.64 65.31 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.185 -1.006 . . . . 2.8500000000000001 111.165 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -65.52 -37.46 86.84 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.99 0.9 . . . . 4.3899999999999997 110.158 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -65.2 -45.16 85.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.805 -1.543 . . . . 4.1299999999999999 110.456 -177.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 41' ' ' ALA . 91.7 t -68.78 -41.61 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 N-CA-C 109.112 -0.699 . . . . 2.9100000000000001 109.112 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.639 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.49 -46.99 83.09 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.356 -1.293 . . . . 3.1400000000000001 111.63 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -67.71 -48.97 65.01 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.887 -0.597 . . . . 5.2400000000000002 109.729 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.752 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.8 t80 -61.22 -30.07 70.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.109 -0.951 . . . . 3.8199999999999998 111.899 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.502 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -82.13 -27.42 32.79 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.757 0.789 . . . . 2.8700000000000001 109.781 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.55 34.52 9.25 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 114.611 -1.177 . . . . 3.2799999999999998 110.707 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.794 HG11 HG23 ' A' ' 34' ' ' THR . 4.7 m -138.65 147.22 25.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 114.314 -0.943 . . . . 3.3900000000000001 110.39 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.5 m -56.16 150.06 14.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.676 0.75 . . . . 4.3399999999999999 110.801 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.655 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 73.6 t80 -51.74 -50.62 60.25 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.643 -1.162 . . . . 3.71 112.657 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' HG3' ' H ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -63.69 -20.48 65.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.962 -0.563 . . . . 5.5 111.65 -178.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.0 m -69.07 -62.04 1.54 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.854 0.359 . . . . 3.6499999999999999 110.361 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.639 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.17 -29.05 41.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 2.8500000000000001 111.289 -179.381 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 t -59.38 -43.97 92.83 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.835 -0.802 . . . . 3.1899999999999999 108.835 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -69.19 -27.53 65.59 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.463 -0.789 . . . . 4.4400000000000004 109.057 179.038 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.065 HG11 HG21 ' A' ' 38' ' ' VAL . 55.5 t -65.92 -48.79 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 114.981 -1.009 . . . . 2.9100000000000001 109.656 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 121.494 0.664 . . . . 2.7200000000000002 110.173 179.069 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.794 HG23 HG11 ' A' ' 15' ' ' VAL . 8.5 m . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 112.202 0.445 . . . . 2.8599999999999999 112.202 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 18.9 mtm180 -63.65 -37.38 87.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.27 -0.641 . . . . 4.1600000000000001 109.27 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -67.79 -36.17 79.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.214 -0.903 . . . . 3.5499999999999998 109.915 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -71.06 -46.27 62.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.746 -0.661 . . . . 2.8399999999999999 110.977 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.065 HG21 HG11 ' A' ' 23' ' ' VAL . 3.7 m -65.42 -47.03 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.783 -0.451 . . . . 2.2599999999999998 109.783 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.43 -39.85 94.68 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.313 -0.625 . . . . 3.27 109.313 178.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.2 -57.49 12.24 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 108.132 -1.062 . . . . 2.8599999999999999 108.132 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.752 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.37 -51.2 47.97 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.783 -0.644 . . . . 2.8900000000000001 112.648 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.414 ' HG2' ' HA ' ' A' ' 39' ' ' GLU . 17.0 ptp -64.99 -32.42 74.13 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.59 -0.444 . . . . 2.8799999999999999 110.272 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.88 -45.64 60.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.986 0.422 . . . . 3.6000000000000001 111.015 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -42.86 84.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.814 -0.63 . . . . 4.0899999999999999 110.186 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.7 mt -81.31 -0.14 39.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 3.71 110.58 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 123.541 0.737 . . . . 4.1799999999999997 110.692 -179.425 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.56 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.441 -0.915 0 N-CA-C 106.914 -1.513 . . . . 3.1699999999999999 106.914 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.775 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.7 mt -59.84 -23.7 63.58 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 118.81 -1.156 . . . . 2.5600000000000001 109.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -36.4 83.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.578 -1.192 . . . . 4.2800000000000002 109.297 176.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' B' ' 5' ' ' THR . 0.7 OUTLIER -65.79 -44.1 86.72 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 113.787 -1.552 . . . . 3.77 109.715 -178.245 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' B' ' 42' ' ' MET . 84.8 t -68.75 -43.16 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 CA-C-N 115.351 -0.84 . . . . 2.6800000000000002 108.851 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.545 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.38 -46.88 82.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.23 -1.35 . . . . 3.1299999999999999 111.413 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.08 -49.63 66.91 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.845 -0.616 . . . . 5.21 109.582 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.841 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 43.9 t80 -60.26 -27.02 66.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.046 -0.979 . . . . 3.6200000000000001 111.263 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.77 -27.56 22.25 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.513 0.673 . . . . 2.9399999999999999 109.52 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.92 34.31 10.1 Favored Glycine 0 CA--C 1.496 -1.103 0 CA-C-N 114.878 -1.056 . . . . 3.6600000000000001 111.406 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.627 ' HB ' HG21 ' B' ' 19' ' ' THR . 7.0 m -139.67 149.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 114.455 -0.872 . . . . 3.5299999999999998 110.892 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' B' ' 19' ' ' THR . 2.7 m -48.47 161.73 0.12 Allowed 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.73 0.776 . . . . 4.3799999999999999 111.04 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.775 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 78.3 t80 -59.78 -65.13 0.73 Allowed 'General case' 0 C--O 1.251 1.146 0 CA-C-O 117.854 -1.07 . . . . 3.6200000000000001 109.787 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.989 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -64.02 10.54 0.05 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 119.589 -0.844 . . . . 5.04 111.549 171.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.824 HG23 HH21 ' B' ' 22' ' ' ARG . 28.6 m -73.22 -61.15 1.92 Allowed 'General case' 0 N--CA 1.39 -3.433 0 N-CA-C 101.768 -3.419 . . . . 3.7799999999999998 101.768 170.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.798 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.6 m -76.59 -32.82 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 113.88 -1.509 . . . . 2.9300000000000002 113.658 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.989 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 41.7 t -61.18 -38.13 85.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.019 0.437 . . . . 3.23 110.654 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.824 HH21 HG23 ' B' ' 19' ' ' THR . 0.0 OUTLIER -65.27 -31.59 72.81 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.213 -1.032 . . . . 5.4000000000000004 108.213 177.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.79 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 54.9 t -65.51 -51.59 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 CA-C-N 114.038 -1.437 . . . . 3.1800000000000002 108.155 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 N--CA 1.469 0.509 0 CA-C-N 114.682 -1.144 . . . . 3.1200000000000001 112.573 178.721 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.545 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 49.8 mtm-85 . . . . . 0 CA--C 1.518 -0.285 0 CA-C-O 120.955 0.407 . . . . 3.9100000000000001 110.206 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.52 -29.75 69.91 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.47 -0.786 . . . . 2.9399999999999999 110.741 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -82.33 -42.93 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.541 . . . . 3.1000000000000001 110.812 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.798 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.3 m -68.12 -45.09 83.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.769 -0.456 . . . . 2.3300000000000001 109.769 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.545 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 4.0 mt-10 -60.69 -42.07 96.42 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.273 -0.64 . . . . 3.0 109.273 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.727 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.78 -53.93 49.25 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.904 -0.776 . . . . 2.6499999999999999 108.904 177.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.841 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.41 -51.67 52.74 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.107 0.78 . . . . 2.6800000000000002 113.107 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.447 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.7 ptp -64.45 -33.14 75.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.729 0.299 . . . . 2.7400000000000002 110.516 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 -42.95 68.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.063 0.459 . . . . 3.4300000000000002 111.226 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.727 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.7 mm-40 -68.19 -44.08 76.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.806 -0.633 . . . . 3.8100000000000001 111.112 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 10.7 mt . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.529 -0.76 . . . . 3.4700000000000002 110.991 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 CA--C 1.501 -0.931 0 N-CA-C 106.872 -1.529 . . . . 3.5499999999999998 106.872 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.638 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 3.6 mt -59.82 -24.52 64.24 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.464 -0.894 . . . . 2.8500000000000001 111.127 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.94 -37.39 87.48 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.973 0.892 . . . . 4.3899999999999997 110.173 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -65.13 -46.04 82.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.792 -1.549 . . . . 4.1299999999999999 110.058 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 41' ' ' ALA . 93.0 t -69.15 -41.79 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-O 121.682 0.753 . . . . 2.9100000000000001 109.501 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.59 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.55 -46.69 83.6 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.536 -1.211 . . . . 3.1400000000000001 111.622 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.45 -49.36 63.99 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.392 0.615 . . . . 5.2400000000000002 109.812 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.837 ' HD2' ' HA ' ' A' ' 41' ' ' ALA . 48.1 t80 -61.4 -27.38 68.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.764 -1.107 . . . . 3.8199999999999998 111.739 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.07 -28.0 25.93 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.673 0.749 . . . . 2.8700000000000001 110.026 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.77 35.71 8.24 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 114.932 -1.031 . . . . 3.2799999999999998 110.808 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.57 HG11 HG23 ' A' ' 34' ' ' THR . 3.8 m -138.71 146.44 26.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.332 -0.934 . . . . 3.3900000000000001 109.674 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.8 p -57.0 145.32 30.8 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.888 -0.725 . . . . 4.3399999999999999 109.994 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.638 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 67.2 t80 -45.84 -50.5 14.18 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.13 -0.941 . . . . 3.71 111.978 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -22.37 65.45 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.846 -1.07 . . . . 5.5 112.41 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 23' ' ' VAL . 89.8 m -69.39 -61.24 1.87 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.977 0.418 . . . . 3.6499999999999999 110.109 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.59 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -68.98 -28.95 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.786 -0.643 . . . . 2.8500000000000001 111.192 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.546 ' HA ' HD13 ' A' ' 6' ' ' LEU . 33.2 t -59.59 -39.79 85.31 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.94 -0.763 . . . . 3.1899999999999999 108.94 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -31.44 68.69 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.687 -0.857 . . . . 4.4400000000000004 108.687 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.979 HG11 HG21 ' A' ' 38' ' ' VAL . 70.3 t -66.59 -49.58 73.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.685 -1.143 . . . . 2.9100000000000001 110.197 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 115.096 -0.957 . . . . 2.7200000000000002 112.409 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.687 ' O ' HG13 ' A' ' 38' ' ' VAL . 6.5 m . . . . . 0 N--CA 1.445 -0.705 0 CA-C-O 120.55 0.215 . . . . 2.8599999999999999 111.025 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -66.97 -34.38 77.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.299 -0.63 . . . . 4.1600000000000001 109.299 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.3 -34.56 78.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.643 -0.708 . . . . 3.5499999999999998 110.104 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -77.03 -45.28 27.73 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.945 -0.57 . . . . 2.8399999999999999 110.627 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.979 HG21 HG11 ' A' ' 23' ' ' VAL . 3.8 m -63.15 -46.01 97.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.183 -0.673 . . . . 2.2599999999999998 109.183 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -62.11 -45.42 93.55 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.817 -0.629 . . . . 3.27 110.015 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.709 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -59.27 -54.41 47.16 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 108.734 -0.839 . . . . 2.8599999999999999 108.734 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.837 ' HA ' ' HD2' ' A' ' 12' ' ' TYR . . . -52.23 -51.77 56.33 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 112.995 0.739 . . . . 2.8900000000000001 112.995 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.8 ptp -65.3 -32.8 74.64 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.749 -0.38 . . . . 2.8799999999999999 110.329 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.62 -43.32 69.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 3.6000000000000001 111.398 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.709 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 3.9 mm-40 -69.13 -44.48 72.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.422 0.63 . . . . 4.0899999999999999 110.578 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.3 mt -81.13 1.07 33.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.472 -0.786 . . . . 3.71 110.918 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 24.9 t30 . . . . . 0 N--CA 1.471 0.62 0 O-C-N 123.761 0.663 . . . . 4.1799999999999997 109.932 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.2 p . . . . . 0 CA--C 1.503 -0.857 0 N-CA-C 105.995 -1.854 . . . . 3.1699999999999999 105.995 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.816 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 0.8 OUTLIER -61.07 -21.0 63.24 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 118.951 -1.099 . . . . 2.5600000000000001 108.77 177.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -41.38 99.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 113.555 -1.657 . . . . 4.2800000000000002 110.297 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -65.91 -42.94 89.56 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 114.042 -1.435 . . . . 3.77 110.106 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' B' ' 42' ' ' MET . 74.6 t -67.62 -41.25 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 115.085 -0.961 . . . . 2.6800000000000002 109.33 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.437 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -61.25 -47.51 85.72 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.29 -1.323 . . . . 3.1299999999999999 111.049 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.21 -49.44 74.21 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.513 -0.767 . . . . 5.21 109.332 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.789 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 51.2 t80 -61.68 -28.91 69.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.934 -1.03 . . . . 3.6200000000000001 111.384 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.53 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -83.05 -25.86 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.582 0.706 . . . . 2.9399999999999999 109.444 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.51 32.17 14.22 Favored Glycine 0 CA--C 1.503 -0.711 0 CA-C-N 114.565 -1.198 . . . . 3.6600000000000001 111.164 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.819 ' HB ' HG21 ' B' ' 19' ' ' THR . 15.9 m -140.29 151.91 21.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 114.572 -0.814 . . . . 3.5299999999999998 111.331 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.2 m -49.76 158.62 0.46 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.957 0.884 . . . . 4.3799999999999999 110.719 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.816 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 65.6 t80 -56.18 -58.21 8.92 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 114.971 -1.013 . . . . 3.6200000000000001 109.856 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.861 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.16 7.06 2.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.803 -1.089 . . . . 5.04 112.718 179.418 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.819 HG21 ' HB ' ' B' ' 15' ' ' VAL . 37.9 m -72.2 -56.92 4.73 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 101.138 -3.653 . . . . 3.7799999999999998 101.138 173.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.773 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -76.95 -29.73 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 CA-C-N 112.711 -2.041 . . . . 2.9300000000000002 113.063 176.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.861 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 30.9 m -59.88 -30.97 69.36 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.615 -0.678 . . . . 3.23 109.306 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -64.62 -40.28 95.21 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 106.766 -1.568 . . . . 5.4000000000000004 106.766 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.709 HG11 HG21 ' B' ' 38' ' ' VAL . 51.3 t -65.58 -51.08 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 113.399 -1.728 . . . . 3.1800000000000002 110.494 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.58 HG21 HD21 ' B' ' 6' ' ' LEU . 25.3 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.351 -0.841 . . . . 3.1200000000000001 112.014 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 22.0 mtt180 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 111.685 0.254 . . . . 3.9100000000000001 111.685 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -32.71 72.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.548 0.213 . . . . 2.9399999999999999 111.573 -178.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -70.44 -47.38 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.999 0.428 . . . . 3.1000000000000001 110.26 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.773 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -69.15 -42.83 81.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.763 -0.653 . . . . 2.3300000000000001 110.02 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.9 OUTLIER -59.63 -40.36 87.33 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.266 -0.642 . . . . 3.0 109.266 177.697 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.56 -51.75 67.26 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.891 -0.781 . . . . 2.6499999999999999 108.891 177.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.789 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -54.2 -51.71 63.55 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.392 -0.822 . . . . 2.6800000000000002 112.963 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.465 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.5 ptp -63.92 -31.57 72.8 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.115 -0.234 . . . . 2.7400000000000002 110.5 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.05 -43.56 67.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.923 0.392 . . . . 3.4300000000000002 111.248 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.499 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 4.5 mm-40 -68.28 -44.54 75.3 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.371 0.605 . . . . 3.8100000000000001 110.833 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.413 -0.812 . . . . 3.4700000000000002 110.781 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.6 p . . . . . 0 CA--C 1.502 -0.886 0 N-CA-C 105.94 -1.874 . . . . 3.5499999999999998 105.94 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.691 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 1.7 mt -59.34 -23.05 62.17 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 119.226 -0.989 . . . . 2.8500000000000001 110.833 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -65.18 -37.65 88.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.336 -0.847 . . . . 4.3899999999999997 110.596 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -65.36 -45.43 84.17 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.712 -1.131 . . . . 4.1299999999999999 110.132 -178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.453 HG13 ' HB3' ' A' ' 41' ' ' ALA . 86.2 t -67.87 -40.86 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.412 -0.813 . . . . 2.9100000000000001 109.025 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.597 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.82 -47.54 82.33 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.454 -1.248 . . . . 3.1400000000000001 111.164 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -50.17 65.46 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.719 -0.673 . . . . 5.2400000000000002 109.806 -179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.822 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.2 t80 -61.99 -27.99 69.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.007 -0.997 . . . . 3.8199999999999998 111.653 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.488 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.1 -27.21 30.35 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.556 0.693 . . . . 2.8700000000000001 109.189 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.04 33.39 9.68 Favored Glycine 0 N--CA 1.44 -1.092 0 CA-C-N 114.684 -1.144 . . . . 3.2799999999999998 111.125 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.73 HG11 HG23 ' A' ' 34' ' ' THR . 6.6 m -139.08 145.93 26.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.414 -0.893 . . . . 3.3900000000000001 110.461 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.5 m -57.39 154.54 10.61 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 122.033 0.921 . . . . 4.3399999999999999 110.704 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.691 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 88.5 t80 -53.35 -51.45 62.41 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 114.099 -1.41 . . . . 3.71 112.898 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -20.03 65.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.856 -0.611 . . . . 5.5 111.303 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 23' ' ' VAL . 9.3 m -68.55 -62.42 1.4 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.9 -0.407 . . . . 3.6499999999999999 109.9 177.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -69.46 -29.41 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 2.8500000000000001 112.149 -179.073 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -57.85 -44.37 86.48 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.671 -0.492 . . . . 3.1899999999999999 109.671 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -27.79 64.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.055 -0.72 . . . . 4.4400000000000004 109.055 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.006 HG11 HG21 ' A' ' 38' ' ' VAL . 53.3 t -67.49 -50.18 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-N 114.65 -1.159 . . . . 2.9100000000000001 110.965 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.491 -0.777 . . . . 2.7200000000000002 111.208 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.743 ' O ' HG13 ' A' ' 38' ' ' VAL . 12.1 m . . . . . 0 N--CA 1.445 -0.703 0 N-CA-C 111.498 0.184 . . . . 2.8599999999999999 111.498 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 35' ' ' ARG . 31.2 mtm180 -63.28 -35.29 79.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.342 0.591 . . . . 4.1600000000000001 109.889 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -67.43 -40.41 85.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.157 -0.928 . . . . 3.5499999999999998 111.605 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -77.77 -37.78 48.21 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 120.522 -0.471 . . . . 2.8399999999999999 111.492 -178.584 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.006 HG21 HG11 ' A' ' 23' ' ' VAL . 3.5 m -62.7 -46.24 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 108.529 -0.915 . . . . 2.2599999999999998 108.529 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 5.4 mt-10 -61.41 -42.38 98.64 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.517 -0.765 . . . . 3.27 109.616 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.741 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -61.34 -54.81 39.07 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.107 -0.701 . . . . 2.8599999999999999 109.107 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.822 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.07 -51.4 53.62 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 113.327 0.862 . . . . 2.8900000000000001 113.327 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.439 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.8 ptp -64.22 -32.68 74.35 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.855 -0.338 . . . . 2.8799999999999999 110.352 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.42 -44.24 65.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.383 . . . . 3.6000000000000001 111.132 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.741 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 3.9 mm-40 -69.14 -44.65 71.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.878 -0.601 . . . . 4.0899999999999999 111.102 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.4 mt -80.76 -0.35 38.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.781 -0.645 . . . . 3.71 110.896 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 42.5 t30 . . . . . 0 N--CA 1.474 0.769 0 O-C-N 123.81 0.694 . . . . 4.1799999999999997 110.119 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.436 -1.136 0 N-CA-C 105.335 -2.098 . . . . 3.1699999999999999 105.335 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.764 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.4 mt -60.14 -21.0 61.08 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 118.887 -1.125 . . . . 2.5600000000000001 111.001 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -35.02 79.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.298 -0.864 . . . . 4.2800000000000002 109.447 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' B' ' 5' ' ' THR . 23.8 m-20 -65.67 -44.8 85.16 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 114.061 -1.427 . . . . 3.77 109.878 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' B' ' 42' ' ' MET . 74.5 t -67.39 -42.6 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.157 -0.929 . . . . 2.6800000000000002 108.717 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.531 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.72 -47.04 85.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.782 -1.554 . . . . 3.1299999999999999 111.432 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -49.34 71.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.722 -0.672 . . . . 5.21 109.304 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.792 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 40.2 t80 -59.82 -28.99 67.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.56 -0.745 . . . . 3.6200000000000001 111.43 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -85.4 -26.1 26.62 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.695 0.759 . . . . 2.9399999999999999 109.527 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.35 30.97 14.79 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 114.313 -1.312 . . . . 3.6600000000000001 111.599 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.658 ' HB ' ' CB ' ' B' ' 19' ' ' THR . 9.2 m -140.01 153.54 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.094 -0.553 . . . . 3.5299999999999998 112.475 -176.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.1 m -49.92 165.09 0.09 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 122.245 1.021 . . . . 4.3799999999999999 112.166 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.764 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 54.8 t80 -61.14 -59.24 5.65 Favored 'General case' 0 C--O 1.159 -3.682 0 CA-C-N 115.022 -0.99 . . . . 3.6200000000000001 109.207 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.17 16.5 0.17 Allowed 'General case' 0 C--N 1.291 -1.963 0 C-N-CA 126.421 1.888 . . . . 5.04 108.601 171.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.658 ' CB ' ' HB ' ' B' ' 15' ' ' VAL . 32.2 m -82.1 -64.69 1.13 Allowed 'General case' 0 N--CA 1.414 -2.237 1 N-CA-C 98.983 -4.451 . . . . 3.7799999999999998 98.983 165.534 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.84 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.5 OUTLIER -76.4 -36.2 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 C-N-CA 127.538 2.335 . . . . 2.9300000000000002 116.715 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.9 p -62.48 -29.27 70.41 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.413 -0.804 . . . . 3.23 109.959 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -32.01 70.47 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 106.658 -1.608 . . . . 5.4000000000000004 106.658 176.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.81 HG11 HG21 ' B' ' 38' ' ' VAL . 97.6 t -66.33 -51.07 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 CA-C-N 113.846 -1.525 . . . . 3.1800000000000002 108.988 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.081 -0.963 . . . . 3.1200000000000001 111.762 179.603 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 19.3 mtm180 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.988 0.423 . . . . 3.9100000000000001 110.236 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -67.77 -38.87 84.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.597 -0.728 . . . . 2.9399999999999999 111.109 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -71.8 -45.62 60.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.117 -0.492 . . . . 3.1000000000000001 111.056 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.84 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.4 m -67.07 -46.5 84.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.536 -0.302 . . . . 2.3300000000000001 110.199 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.625 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.5 tt0 -59.99 -41.75 92.71 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.046 -0.724 . . . . 3.0 109.046 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.711 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.71 -53.98 46.14 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.147 -0.686 . . . . 2.6499999999999999 109.147 178.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.792 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.6 -51.82 52.51 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.155 0.798 . . . . 2.6800000000000002 113.155 -179.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.48 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.6 ptp -64.96 -32.48 74.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.767 0.318 . . . . 2.7400000000000002 110.396 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.43 -42.69 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 3.4300000000000002 111.217 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.711 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.2 mm-40 -69.24 -44.63 71.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.869 -0.605 . . . . 3.8100000000000001 110.737 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.1 mt . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.54 -0.755 . . . . 3.4700000000000002 111.053 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.7 p . . . . . 0 N--CA 1.438 -1.029 0 N-CA-C 105.633 -1.988 . . . . 3.5499999999999998 105.633 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.6 mt -59.32 -22.58 61.46 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 119.372 -0.931 . . . . 2.8500000000000001 110.93 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -65.35 -38.24 89.5 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.503 -0.771 . . . . 4.3899999999999997 110.217 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -65.58 -45.27 83.92 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 114.437 -1.256 . . . . 4.1299999999999999 109.731 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 41' ' ' ALA . 96.7 t -68.07 -41.69 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 115.209 -0.905 . . . . 2.9100000000000001 109.202 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.586 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.47 -46.83 83.23 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.708 -1.133 . . . . 3.1400000000000001 111.334 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.16 -49.31 61.8 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.647 -0.501 . . . . 5.2400000000000002 109.647 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.84 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 50.2 t80 -60.81 -27.74 68.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.656 -0.702 . . . . 3.8199999999999998 111.476 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.93 -27.95 28.19 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.742 0.782 . . . . 2.8700000000000001 109.524 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.1 35.15 9.11 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-N 114.693 -1.139 . . . . 3.2799999999999998 110.968 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.822 HG11 HG23 ' A' ' 34' ' ' THR . 5.6 m -139.48 146.54 25.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.498 -0.851 . . . . 3.3900000000000001 110.178 -178.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -55.85 149.85 14.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.602 0.715 . . . . 4.3399999999999999 110.384 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 71.2 t80 -51.62 -51.18 57.74 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.652 -1.158 . . . . 3.71 111.871 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.58 -22.15 64.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.549 -0.751 . . . . 5.5 111.927 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 23' ' ' VAL . 9.1 m -68.67 -61.12 1.95 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.557 -0.292 . . . . 3.6499999999999999 110.349 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.586 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -68.52 -29.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 2.8500000000000001 111.932 -179.21 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.4 m -58.1 -42.5 85.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.142 0.496 . . . . 3.1899999999999999 109.857 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -29.97 67.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.807 -0.812 . . . . 4.4400000000000004 108.807 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.947 HG11 HG21 ' A' ' 38' ' ' VAL . 71.5 t -67.28 -50.37 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 114.533 -1.212 . . . . 2.9100000000000001 110.51 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.094 -0.957 . . . . 2.7200000000000002 111.473 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.822 HG23 HG11 ' A' ' 15' ' ' VAL . 26.6 m . . . . . 0 N--CA 1.443 -0.822 0 N-CA-C 111.421 0.156 . . . . 2.8599999999999999 111.421 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 38' ' ' VAL . 20.0 mtm180 -66.98 -37.11 83.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.095 -0.706 . . . . 4.1600000000000001 109.095 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -67.63 -35.38 78.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.451 -1.25 . . . . 3.5499999999999998 110.264 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -71.01 -46.69 61.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.583 -0.735 . . . . 2.8399999999999999 110.683 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.947 HG21 HG11 ' A' ' 23' ' ' VAL . 2.5 m -64.98 -47.02 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.984 -0.376 . . . . 2.2599999999999998 109.984 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.47 -42.14 99.28 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.972 -0.558 . . . . 3.27 110.008 179.108 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.753 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.96 -53.34 58.43 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.5 -0.926 . . . . 2.8599999999999999 108.5 177.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.84 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.52 -51.83 51.93 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 113.236 0.828 . . . . 2.8900000000000001 113.236 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.419 ' N ' HG13 ' A' ' 9' ' ' VAL . 16.7 ptp -65.18 -32.29 73.89 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.732 -0.387 . . . . 2.8799999999999999 110.417 -179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.91 66.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.972 0.415 . . . . 3.6000000000000001 111.069 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.753 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.5 mm-40 -69.59 -44.36 70.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 4.0899999999999999 110.82 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.8 mt -79.34 -0.0 30.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.468 -0.787 . . . . 3.71 110.611 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 13.5 t30 . . . . . 0 N--CA 1.469 0.504 0 O-C-N 123.757 0.661 . . . . 4.1799999999999997 110.672 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.9 p . . . . . 0 CA--C 1.5 -0.976 0 N-CA-C 105.864 -1.902 . . . . 3.1699999999999999 105.864 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.724 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.4 mt -61.4 -20.89 63.57 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 118.858 -1.137 . . . . 2.5600000000000001 109.336 178.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.58 -40.12 96.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.746 -1.115 . . . . 4.2800000000000002 109.893 177.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.16 -44.46 92.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 113.855 -1.521 . . . . 3.77 109.739 -178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.458 HG13 ' N ' ' B' ' 42' ' ' MET . 93.9 t -67.9 -41.64 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.186 -0.916 . . . . 2.6800000000000002 109.239 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.512 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -59.93 -46.89 87.94 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.238 -1.346 . . . . 3.1299999999999999 111.412 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.41 -49.11 70.45 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.497 0.665 . . . . 5.21 109.376 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.739 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 52.7 t80 -60.86 -28.25 68.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.903 -1.044 . . . . 3.6200000000000001 111.29 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.97 -26.73 26.95 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.452 0.644 . . . . 2.9399999999999999 109.281 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.27 31.7 13.56 Favored Glycine 0 CA--C 1.501 -0.834 0 CA-C-N 114.719 -1.128 . . . . 3.6600000000000001 111.32 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.641 ' HB ' HG21 ' B' ' 19' ' ' THR . 9.5 m -140.21 150.88 21.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.648 -0.776 . . . . 3.5299999999999998 110.758 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 14.2 m -47.35 161.98 0.07 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.601 0.715 . . . . 4.3799999999999999 112.349 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.724 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 66.4 t80 -60.42 -60.89 3.09 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 114.971 -1.013 . . . . 3.6200000000000001 108.851 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 1.049 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -71.3 11.31 0.46 Allowed 'General case' 0 C--O 1.251 1.145 0 C-N-CA 120.16 -0.616 . . . . 5.04 112.222 174.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.641 HG21 ' HB ' ' B' ' 15' ' ' VAL . 45.8 m -74.4 -63.21 1.28 Allowed 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 101.894 -3.372 . . . . 3.7799999999999998 101.894 170.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.836 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.6 m -75.48 -32.06 24.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 113.943 -1.48 . . . . 2.9300000000000002 112.652 177.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 1.049 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 37.5 t -61.62 -36.57 81.13 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 121.422 -0.799 . . . . 3.23 110.011 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -67.91 -32.37 72.8 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.386 -1.339 . . . . 5.4000000000000004 107.386 178.272 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.755 HG11 HG21 ' B' ' 38' ' ' VAL . 87.3 t -66.04 -50.49 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 113.747 -1.57 . . . . 3.1800000000000002 109.653 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.053 -0.976 . . . . 3.1200000000000001 112.364 179.772 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.982 0.42 . . . . 3.9100000000000001 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.16 -33.87 76.35 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.502 -0.772 . . . . 2.9399999999999999 111.331 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -77.39 -42.15 37.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.574 -0.285 . . . . 3.1000000000000001 110.741 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.836 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.3 m -68.22 -45.14 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.666 -0.494 . . . . 2.3300000000000001 109.666 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.14 -37.61 85.81 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.178 -0.675 . . . . 3.0 109.178 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.66 -54.96 31.52 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.634 -0.876 . . . . 2.6499999999999999 108.634 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.739 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.15 -51.43 53.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.618 -0.719 . . . . 2.6800000000000002 112.751 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.458 ' N ' HG13 ' B' ' 9' ' ' VAL . 16.9 ptp -64.22 -32.03 73.46 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.032 -0.267 . . . . 2.7400000000000002 110.381 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.11 -44.59 65.32 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.073 0.463 . . . . 3.4300000000000002 111.069 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.8 -43.42 79.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.72 -0.673 . . . . 3.8100000000000001 110.391 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.0 mt . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.648 -0.706 . . . . 3.4700000000000002 110.758 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 40.2 p . . . . . 0 CA--C 1.499 -0.984 0 N-CA-C 106.465 -1.68 . . . . 3.5499999999999998 106.465 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.681 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 1.6 mt -59.02 -23.98 62.42 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.051 -1.059 . . . . 2.8500000000000001 110.756 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -65.21 -35.45 81.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.313 -0.858 . . . . 4.3899999999999997 110.042 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 5' ' ' THR . 5.1 m-20 -65.51 -46.81 78.24 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 114.377 -1.283 . . . . 4.1299999999999999 109.815 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.437 HG13 ' HB3' ' A' ' 41' ' ' ALA . 96.3 t -68.37 -41.24 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 115.712 -0.676 . . . . 2.9100000000000001 109.365 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.0 -46.82 84.62 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.581 -1.191 . . . . 3.1400000000000001 111.603 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.81 -49.78 60.44 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.497 0.665 . . . . 5.2400000000000002 109.535 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.793 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 52.8 t80 -60.51 -27.42 67.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.677 -1.147 . . . . 3.8199999999999998 111.752 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.05 -27.6 26.23 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.602 0.715 . . . . 2.8700000000000001 109.659 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 35.12 8.95 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 114.751 -1.113 . . . . 3.2799999999999998 110.957 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.624 HG11 HG23 ' A' ' 34' ' ' THR . 5.2 m -139.08 147.36 24.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.315 -0.942 . . . . 3.3900000000000001 109.847 -178.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 m -55.72 150.29 12.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.639 0.733 . . . . 4.3399999999999999 110.239 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.681 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 79.1 t80 -51.7 -51.45 55.92 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 114.49 -1.232 . . . . 3.71 112.219 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -25.05 66.43 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.465 -0.789 . . . . 5.5 111.694 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.7 m -64.98 -61.49 2.13 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.884 0.373 . . . . 3.6499999999999999 110.229 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.668 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -69.37 -29.1 40.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 2.8500000000000001 111.291 -179.736 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.483 ' HA ' HD13 ' A' ' 6' ' ' LEU . 33.9 t -58.43 -43.69 88.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.039 -0.726 . . . . 3.1899999999999999 109.039 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 19' ' ' THR . 1.7 ptm180 -70.16 -26.56 63.98 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.761 -0.654 . . . . 4.4400000000000004 109.379 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.044 HG11 HG21 ' A' ' 38' ' ' VAL . 46.9 t -66.39 -50.35 68.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.377 -0.829 . . . . 2.9100000000000001 110.562 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.041 -0.981 . . . . 2.7200000000000002 112.124 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.691 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.4 m . . . . . 0 N--CA 1.444 -0.757 0 N-CA-C 111.708 0.262 . . . . 2.8599999999999999 111.708 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.499 ' O ' HG22 ' A' ' 38' ' ' VAL . 20.0 mtm180 -67.31 -37.84 84.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.462 -0.57 . . . . 4.1600000000000001 109.462 -178.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -68.14 -30.54 69.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.271 -0.877 . . . . 3.5499999999999998 110.131 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -73.65 -47.69 37.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.05 -0.523 . . . . 2.8399999999999999 109.815 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.044 HG21 HG11 ' A' ' 23' ' ' VAL . 3.0 m -64.17 -44.84 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 108.735 -0.839 . . . . 2.2599999999999998 108.735 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 5.7 mt-10 -57.79 -48.95 78.22 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.427 -0.806 . . . . 3.27 109.601 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.03 -55.55 33.65 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 109.244 -0.65 . . . . 2.8599999999999999 109.244 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.793 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.73 -51.51 49.34 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.284 0.846 . . . . 2.8900000000000001 113.284 -178.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 16.6 ptp -65.26 -32.49 74.19 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.697 -0.401 . . . . 2.8799999999999999 110.337 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.27 -44.26 65.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.971 0.415 . . . . 3.6000000000000001 111.348 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -43.25 74.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.83 -0.623 . . . . 4.0899999999999999 110.795 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.9 mt -81.37 0.44 37.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.857 -0.61 . . . . 3.71 110.613 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 t30 . . . . . 0 N--CA 1.468 0.449 0 C-N-CA 123.505 0.722 . . . . 4.1799999999999997 110.023 -179.074 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 31.9 p . . . . . 0 CA--C 1.498 -1.044 0 N-CA-C 106.651 -1.611 . . . . 3.1699999999999999 106.651 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.883 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -60.9 -21.67 63.58 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 118.356 -1.337 . . . . 2.5600000000000001 109.079 178.435 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -64.01 -40.24 95.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.671 -1.149 . . . . 4.2800000000000002 109.842 177.33 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' B' ' 5' ' ' THR . 7.6 m-20 -61.83 -44.53 96.66 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 114.087 -1.415 . . . . 3.77 109.726 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' B' ' 42' ' ' MET . 70.8 t -68.55 -41.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.419 -0.81 . . . . 2.6800000000000002 109.076 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.491 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.87 -46.11 88.56 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.254 -1.339 . . . . 3.1299999999999999 111.467 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.06 -49.16 71.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.749 -0.659 . . . . 5.21 109.621 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.808 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 47.3 t80 -61.46 -28.1 69.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.837 -1.074 . . . . 3.6200000000000001 111.401 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.16 -26.51 25.12 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.764 0.792 . . . . 2.9399999999999999 108.986 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.13 32.71 11.81 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 114.284 -1.325 . . . . 3.6600000000000001 111.916 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.758 ' HB ' HG21 ' B' ' 19' ' ' THR . 8.1 m -139.78 150.38 22.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.131 -0.534 . . . . 3.5299999999999998 112.078 -176.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.566 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -49.97 154.8 1.03 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.374 0.607 . . . . 4.3799999999999999 110.656 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.883 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 66.3 t80 -51.25 -59.89 3.71 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 108.423 -0.954 . . . . 3.6200000000000001 108.423 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.768 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -70.53 6.77 1.27 Allowed 'General case' 0 CA--C 1.482 -1.665 0 CA-C-N 115.179 -0.919 . . . . 5.04 112.518 178.038 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.758 HG21 ' HB ' ' B' ' 15' ' ' VAL . 18.7 m -72.66 -64.35 0.98 Allowed 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 101.675 -3.454 . . . . 3.7799999999999998 101.675 170.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.737 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.2 m -75.79 -31.1 22.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 CA-C-N 112.845 -1.979 . . . . 2.9300000000000002 114.291 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.768 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 36.2 t -61.43 -33.19 73.3 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.559 -0.713 . . . . 3.23 109.409 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -33.57 75.86 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.035 -1.469 . . . . 5.4000000000000004 107.035 178.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.851 HG11 HG21 ' B' ' 38' ' ' VAL . 93.6 t -66.09 -50.98 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 113.605 -1.634 . . . . 3.1800000000000002 109.528 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 114.549 -1.205 . . . . 3.1200000000000001 112.741 179.848 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.427 ' HA ' HG22 ' B' ' 38' ' ' VAL . 18.6 mtm180 . . . . . 0 CA--C 1.518 -0.257 0 CA-C-O 120.881 0.372 . . . . 3.9100000000000001 110.409 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.83 -34.4 77.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.662 -0.699 . . . . 2.9399999999999999 111.023 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -82.14 -40.28 22.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.255 -0.429 . . . . 3.1000000000000001 111.465 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.851 HG21 HG11 ' B' ' 23' ' ' VAL . 4.3 m -67.86 -45.82 83.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.598 -0.519 . . . . 2.3300000000000001 109.598 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.416 ' N ' HG23 ' B' ' 38' ' ' VAL . 3.3 mt-10 -62.74 -38.0 88.81 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.462 -0.57 . . . . 3.0 109.462 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.667 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.73 -54.18 43.09 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.382 -0.969 . . . . 2.6499999999999999 108.382 177.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.808 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.08 -51.26 58.81 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.502 -0.772 . . . . 2.6800000000000002 113.031 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.441 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.8 ptp -64.43 -32.17 73.68 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.988 -0.285 . . . . 2.7400000000000002 110.334 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 -45.31 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 3.4300000000000002 111.062 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.667 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 8.8 mm-40 -66.53 -44.82 81.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.746 -0.661 . . . . 3.8100000000000001 110.711 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.2 mt . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.702 -0.681 . . . . 3.4700000000000002 110.671 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.1 p . . . . . 0 N--CA 1.441 -0.877 0 N-CA-C 105.796 -1.927 . . . . 3.5499999999999998 105.796 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.603 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.7 mt -59.21 -23.45 62.29 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 119.542 -0.863 . . . . 2.8500000000000001 111.151 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -65.22 -39.38 92.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.714 0.769 . . . . 4.3899999999999997 110.023 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -66.07 -44.42 84.52 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.441 -1.254 . . . . 4.1299999999999999 109.818 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.543 HG13 ' HB3' ' A' ' 41' ' ' ALA . 91.2 t -68.07 -41.19 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 CA-C-N 115.536 -0.757 . . . . 2.9100000000000001 109.227 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.19 -48.11 81.36 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.577 -1.192 . . . . 3.1400000000000001 111.256 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.71 -48.42 63.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.958 -0.564 . . . . 5.2400000000000002 109.494 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.785 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.3 t80 -60.65 -27.76 68.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 3.8199999999999998 111.6 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.446 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.54 -27.87 27.05 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.691 0.758 . . . . 2.8700000000000001 109.539 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.74 34.46 9.12 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 114.75 -1.114 . . . . 3.2799999999999998 110.997 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.842 HG11 HG23 ' A' ' 34' ' ' THR . 4.5 m -139.33 146.88 24.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.395 -0.902 . . . . 3.3900000000000001 109.938 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 m -55.68 151.95 10.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.6 0.714 . . . . 4.3399999999999999 110.478 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.603 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.0 t80 -54.1 -50.89 65.82 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.625 -1.17 . . . . 3.71 111.372 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -27.61 65.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.008 -0.997 . . . . 5.5 111.572 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.2 m -67.28 -61.69 1.79 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.435 -0.348 . . . . 3.6499999999999999 111.077 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.668 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -65.74 -28.85 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 2.8500000000000001 111.861 -178.177 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.0 m -56.96 -45.25 82.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.084 0.469 . . . . 3.1899999999999999 109.807 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -28.79 64.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.362 -0.607 . . . . 4.4400000000000004 109.362 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 19' ' ' THR . 91.4 t -68.05 -43.36 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 114.924 -1.035 . . . . 2.9100000000000001 110.151 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.233 0.184 0 CA-C-O 121.512 0.672 . . . . 2.7200000000000002 109.56 178.599 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.842 HG23 HG11 ' A' ' 15' ' ' VAL . 61.6 m . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 111.313 0.116 . . . . 2.8599999999999999 111.313 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 38' ' ' VAL . 15.9 mtm180 -67.33 -38.21 84.53 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 108.472 -0.936 . . . . 4.1600000000000001 108.472 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -67.62 -30.58 70.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.6 -1.182 . . . . 3.5499999999999998 109.738 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.17 -46.75 55.08 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.877 -0.601 . . . . 2.8399999999999999 110.0 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 34' ' ' THR . 1.3 m -65.84 -46.23 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 108.898 -0.778 . . . . 2.2599999999999998 108.898 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 13.3 mt-10 -60.2 -40.62 90.72 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.714 -0.676 . . . . 3.27 109.657 178.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.802 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -63.16 -55.34 26.02 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.653 -0.869 . . . . 2.8599999999999999 108.653 177.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.785 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.37 -51.26 47.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.82 0.674 . . . . 2.8900000000000001 112.82 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.427 ' HE3' ' O ' ' A' ' 38' ' ' VAL . 13.0 ptp -65.34 -32.14 73.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.677 -0.409 . . . . 2.8799999999999999 110.204 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.63 -46.36 59.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.841 0.353 . . . . 3.6000000000000001 110.972 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.802 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.2 mm-40 -66.14 -44.46 84.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.824 -0.625 . . . . 4.0899999999999999 110.283 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 11.1 mt -80.45 -0.48 37.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.785 -0.643 . . . . 3.71 110.193 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.6 t30 . . . . . 0 N--CA 1.471 0.613 0 C-N-CA 123.874 0.87 . . . . 4.1799999999999997 110.903 -179.304 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.0 p . . . . . 0 CA--C 1.499 -1.002 0 N-CA-C 105.841 -1.911 . . . . 3.1699999999999999 105.841 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.814 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -61.1 -20.25 62.41 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 118.731 -1.188 . . . . 2.5600000000000001 109.339 178.53 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.35 -38.2 90.2 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.761 -1.109 . . . . 4.2800000000000002 109.807 177.413 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.44 -44.65 86.61 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 113.928 -1.487 . . . . 3.77 109.679 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' B' ' 42' ' ' MET . 76.8 t -67.74 -41.76 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-N 115.245 -0.888 . . . . 2.6800000000000002 109.628 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.471 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.02 -47.13 87.12 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.324 -1.307 . . . . 3.1299999999999999 111.413 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.4 -48.14 76.52 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.817 -0.629 . . . . 5.21 109.328 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.825 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 42.8 t80 -61.56 -27.11 68.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.955 -1.02 . . . . 3.6200000000000001 111.45 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.712 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -85.93 -25.87 25.85 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.515 0.674 . . . . 2.9399999999999999 109.708 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.19 32.37 12.4 Favored Glycine 0 CA--C 1.5 -0.861 0 CA-C-N 114.863 -1.062 . . . . 3.6600000000000001 111.077 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.631 ' HB ' HG21 ' B' ' 19' ' ' THR . 5.1 m -141.83 150.82 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.073 -1.064 . . . . 3.5299999999999998 111.389 -177.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.451 ' HB2' ' OG1' ' B' ' 19' ' ' THR . 16.0 m -49.7 155.89 0.76 Allowed 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.78 0.8 . . . . 4.3799999999999999 110.472 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.814 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.4 t80 -53.41 -58.43 7.13 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 114.664 -1.153 . . . . 3.6200000000000001 109.393 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.909 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.347 0.0 OUTLIER -79.73 21.57 0.52 Allowed 'General case' 0 C--O 1.261 1.66 0 N-CA-C 114.172 1.175 . . . . 5.04 114.172 177.397 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.631 HG21 ' HB ' ' B' ' 15' ' ' VAL . 100.0 m -79.98 -60.63 2.26 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 101.284 -3.599 . . . . 3.7799999999999998 101.284 169.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.806 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.5 m -73.78 -31.85 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-N 111.866 -2.425 . . . . 2.9300000000000002 113.073 176.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.909 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 48.4 t -64.47 -35.58 81.4 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 121.689 -0.632 . . . . 3.23 109.36 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -64.04 -38.97 93.01 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 106.226 -1.768 . . . . 5.4000000000000004 106.226 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.762 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 93.1 t -58.59 -51.9 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 114.227 -1.352 . . . . 3.1800000000000002 108.756 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 51.2 t . . . . . 0 CA--C 1.541 0.607 0 CA-C-N 114.721 -1.127 . . . . 3.1200000000000001 111.544 178.1 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.499 ' O ' HG22 ' B' ' 38' ' ' VAL . 11.2 mtp180 . . . . . 0 C--O 1.221 -0.398 0 N-CA-C 109.473 -0.565 . . . . 3.9100000000000001 109.473 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -67.64 -32.65 73.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.279 -0.873 . . . . 2.9399999999999999 110.463 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.712 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 2.4 ptmt -72.99 -43.38 62.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 3.1000000000000001 110.105 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.806 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -69.77 -41.93 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.147 -0.686 . . . . 2.3300000000000001 109.147 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 5.1 mt-10 -58.85 -42.69 89.94 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.444 -0.798 . . . . 3.0 109.069 177.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.605 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.98 -52.77 61.71 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 109.033 -0.728 . . . . 2.6499999999999999 109.033 177.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.825 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.98 -51.48 56.93 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 113.173 0.805 . . . . 2.6800000000000002 113.173 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.494 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.1 ptp -64.84 -32.33 73.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.585 0.231 . . . . 2.7400000000000002 110.503 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.46 -42.59 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 3.4300000000000002 111.333 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.8 mm-40 -69.22 -43.88 73.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.374 0.607 . . . . 3.8100000000000001 110.621 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.254 -0.885 . . . . 3.4700000000000002 110.776 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 CA--C 1.504 -0.819 0 N-CA-C 106.697 -1.594 . . . . 3.5499999999999998 106.697 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.637 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 3.1 mt -59.98 -24.23 64.26 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 119.108 -1.037 . . . . 2.8500000000000001 111.195 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -64.87 -39.95 94.35 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.87 0.843 . . . . 4.3899999999999997 110.649 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -65.66 -43.45 89.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 113.999 -1.455 . . . . 4.1299999999999999 110.178 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.462 HG13 ' HB3' ' A' ' 41' ' ' ALA . 78.9 t -68.8 -41.99 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.64 0.733 . . . . 2.9100000000000001 109.052 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.622 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -56.74 -48.89 76.76 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.318 -1.31 . . . . 3.1400000000000001 111.498 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.33 -49.23 70.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 115.659 -0.701 . . . . 5.2400000000000002 109.547 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.755 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.4 t80 -61.94 -29.92 70.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 3.8199999999999998 111.654 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -79.92 -27.12 39.92 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.73 0.776 . . . . 2.8700000000000001 109.265 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.8 33.02 10.27 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.624 -1.171 . . . . 3.2799999999999998 110.488 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.64 HG11 HG23 ' A' ' 34' ' ' THR . 4.5 m -139.27 145.7 26.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 114.055 -1.072 . . . . 3.3900000000000001 109.858 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -56.26 152.39 11.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.76 0.79 . . . . 4.3399999999999999 110.737 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.637 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.9 t80 -52.82 -51.12 62.09 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.379 -1.282 . . . . 3.71 111.618 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.98 -22.98 63.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.107 -0.951 . . . . 5.5 111.878 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.601 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.4 m -70.54 -62.17 1.49 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.406 -0.361 . . . . 3.6499999999999999 110.776 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.622 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.12 -29.8 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.56 0.578 . . . . 2.8500000000000001 112.56 -178.53 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -58.14 -42.34 85.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.258 0.551 . . . . 3.1899999999999999 109.76 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.03 -30.75 68.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.967 -0.753 . . . . 4.4400000000000004 108.967 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.991 HG11 HG21 ' A' ' 38' ' ' VAL . 74.3 t -65.25 -47.79 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.925 -1.034 . . . . 2.9100000000000001 109.721 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.535 0.386 0 CA-C-N 115.572 -0.74 . . . . 2.7200000000000002 110.096 178.907 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.686 ' O ' HG13 ' A' ' 38' ' ' VAL . 6.6 m . . . . . 0 N--CA 1.442 -0.837 0 N-CA-C 111.349 0.129 . . . . 2.8599999999999999 111.349 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 21.8 mtm180 -64.78 -37.35 87.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.844 0.354 . . . . 4.1600000000000001 110.082 -178.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.97 -30.56 70.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.628 -0.715 . . . . 3.5499999999999998 109.795 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -76.82 -45.72 27.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.843 -0.617 . . . . 2.8399999999999999 110.439 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.991 HG21 HG11 ' A' ' 23' ' ' VAL . 2.3 m -64.3 -46.44 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.213 -0.662 . . . . 2.2599999999999998 109.213 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 4.7 mt-10 -58.7 -42.63 89.03 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.611 -0.722 . . . . 3.27 109.412 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.4 26.0 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.348 -0.612 . . . . 2.8599999999999999 109.348 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.755 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.56 -51.49 47.61 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 113.455 0.909 . . . . 2.8900000000000001 113.455 -178.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.42 ' HA ' HG22 ' A' ' 9' ' ' VAL . 16.5 ptp -64.37 -31.83 73.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.991 -0.374 . . . . 2.8799999999999999 109.991 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.68 -47.36 47.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 3.6000000000000001 111.186 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -44.52 80.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.682 -0.69 . . . . 4.0899999999999999 110.961 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.2 mt -81.12 -1.54 44.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.183 -0.462 . . . . 3.71 110.627 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 2.9 t-20 . . . . . 0 N--CA 1.473 0.688 0 O-C-N 123.845 0.716 . . . . 4.1799999999999997 109.736 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.441 -0.921 0 N-CA-C 105.7 -1.963 . . . . 3.1699999999999999 105.7 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.849 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.1 mt -60.6 -19.3 57.38 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.878 -1.129 . . . . 2.5600000000000001 110.168 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.401 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.2 OUTLIER -65.74 -38.77 90.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.704 -1.135 . . . . 4.2800000000000002 110.346 177.338 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.4 -42.13 88.31 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 114.828 -1.078 . . . . 3.77 109.961 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' B' ' 42' ' ' MET . 78.5 t -66.89 -41.31 87.44 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 CA-C-O 121.945 0.878 . . . . 2.6800000000000002 109.047 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' B' ' 15' ' ' VAL . . . -61.21 -46.71 89.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.039 -1.437 . . . . 3.1299999999999999 111.426 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -66.23 -47.88 72.35 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.092 -0.707 . . . . 5.21 109.092 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.774 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 53.1 t80 -60.51 -28.65 68.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.149 -0.932 . . . . 3.6200000000000001 111.008 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.23 -26.39 25.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.571 0.7 . . . . 2.9399999999999999 109.191 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 31.99 12.9 Favored Glycine 0 CA--C 1.504 -0.601 0 CA-C-N 114.551 -1.204 . . . . 3.6600000000000001 111.457 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.782 ' HB ' HG21 ' B' ' 19' ' ' THR . 12.1 m -140.39 151.11 21.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-N 114.616 -0.792 . . . . 3.5299999999999998 111.449 -176.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.451 ' O ' ' HB ' ' B' ' 19' ' ' THR . 2.0 p -52.48 162.29 0.57 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 121.577 0.703 . . . . 4.3799999999999999 110.892 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.849 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 75.4 t80 -55.9 -60.72 3.06 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.271 -1.331 . . . . 3.6200000000000001 111.701 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.937 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.276 0.0 OUTLIER -70.36 -3.15 16.06 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 124.489 1.118 . . . . 5.04 110.888 172.731 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.782 HG21 ' HB ' ' B' ' 15' ' ' VAL . 98.9 m -62.34 -60.4 3.61 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 102.076 -3.305 . . . . 3.7799999999999998 102.076 169.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.982 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.1 m -76.88 -36.9 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 114.553 1.316 . . . . 2.9300000000000002 114.553 177.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.937 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 43.3 t -57.8 -37.41 73.7 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.898 -0.501 . . . . 3.23 109.783 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.693 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.9 OUTLIER -65.55 -32.27 73.78 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 107.212 -1.403 . . . . 5.4000000000000004 107.212 177.311 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.852 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 53.9 t -66.23 -51.71 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 114.186 -1.37 . . . . 3.1800000000000002 109.538 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 114.469 -1.241 . . . . 3.1200000000000001 111.777 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 121.282 0.563 . . . . 3.9100000000000001 110.247 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.28 -37.06 80.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.173 -0.921 . . . . 2.9399999999999999 111.412 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -72.99 -44.21 61.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.33 -0.396 . . . . 3.1000000000000001 111.169 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.982 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -67.31 -46.24 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.802 -0.444 . . . . 2.3300000000000001 109.802 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.418 ' HA ' ' HG2' ' B' ' 42' ' ' MET . 1.4 mt-10 -62.79 -37.65 87.54 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.274 -0.639 . . . . 3.0 109.274 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.18 -55.71 29.08 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 108.252 -1.018 . . . . 2.6499999999999999 108.252 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.774 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.48 -51.38 47.62 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.612 -0.722 . . . . 2.6800000000000002 112.734 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.457 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.9 ptp -65.14 -32.59 74.35 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.769 -0.372 . . . . 2.7400000000000002 110.31 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.39 66.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.042 0.449 . . . . 3.4300000000000002 111.174 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.448 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.8 OUTLIER -67.75 -43.73 79.19 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.726 -0.67 . . . . 3.8100000000000001 110.21 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.574 -0.739 . . . . 3.4700000000000002 110.295 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -1.013 0 N-CA-C 105.71 -1.959 . . . . 3.5499999999999998 105.71 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.678 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.3 mt -58.31 -23.17 55.63 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 119.424 -0.91 . . . . 2.8500000000000001 111.742 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -64.9 -36.64 85.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.591 0.71 . . . . 4.3899999999999997 110.484 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -65.19 -45.06 86.35 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 114.455 -1.248 . . . . 4.1299999999999999 110.573 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 41' ' ' ALA . 92.4 t -68.21 -40.62 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 CA-C-O 121.638 0.733 . . . . 2.9100000000000001 109.207 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.647 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.95 -48.09 82.78 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.44 -1.254 . . . . 3.1400000000000001 111.755 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.19 -48.15 68.81 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.363 -0.606 . . . . 5.2400000000000002 109.363 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.786 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 48.1 t80 -61.53 -28.93 69.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.235 -0.893 . . . . 3.8199999999999998 111.716 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.59 -26.82 29.69 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.907 0.861 . . . . 2.8700000000000001 109.785 -179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.27 35.91 8.51 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.746 -1.115 . . . . 3.2799999999999998 110.676 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.618 HG21 HG12 ' A' ' 38' ' ' VAL . 4.1 m -139.16 146.74 25.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 114.276 -0.962 . . . . 3.3900000000000001 109.959 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -56.28 148.23 19.07 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.548 0.69 . . . . 4.3399999999999999 109.989 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 70.6 t80 -50.63 -51.45 48.78 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 114.72 -1.127 . . . . 3.71 111.89 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -23.76 59.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.238 -0.892 . . . . 5.5 111.977 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 23' ' ' VAL . 19.0 m -69.58 -63.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.673 -0.24 . . . . 3.6499999999999999 110.552 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.647 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -69.43 -30.11 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.313 -0.403 . . . . 2.8500000000000001 111.943 -179.024 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.546 ' HA ' HD13 ' A' ' 6' ' ' LEU . 28.9 t -58.24 -47.74 82.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.299 -0.63 . . . . 3.1899999999999999 109.299 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -70.6 -23.82 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.631 -0.713 . . . . 4.4400000000000004 109.56 179.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 38' ' ' VAL . 21.2 t -64.94 -50.94 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.711 -0.848 . . . . 2.9100000000000001 108.711 178.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 CA--C 1.535 0.393 0 CA-C-N 115.478 -0.783 . . . . 2.7200000000000002 111.013 178.574 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.746 ' O ' HG13 ' A' ' 38' ' ' VAL . 3.6 m . . . . . 0 N--CA 1.443 -0.821 0 CA-C-O 120.669 0.271 . . . . 2.8599999999999999 111.175 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HA ' HG22 ' A' ' 38' ' ' VAL . 10.9 mtt180 -65.42 -34.19 77.7 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.271 -0.64 . . . . 4.1600000000000001 109.271 -178.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.82 -39.49 94.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.252 -0.885 . . . . 3.5499999999999998 110.924 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HE3' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -83.53 -36.94 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.984 -0.686 . . . . 2.8399999999999999 111.578 -179.56 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.914 HG21 HG11 ' A' ' 23' ' ' VAL . 4.5 m -62.19 -46.15 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 108.446 -0.946 . . . . 2.2599999999999998 108.446 178.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 20.7 mt-10 -62.82 -42.2 99.63 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.443 -0.799 . . . . 3.27 109.614 178.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.81 -55.88 28.68 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.812 -0.81 . . . . 2.8599999999999999 108.812 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.786 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.2 -51.65 51.86 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 113.043 0.757 . . . . 2.8900000000000001 113.043 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.413 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.9 ptp -64.41 -31.87 73.25 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.809 -0.356 . . . . 2.8799999999999999 110.415 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.94 -44.78 63.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.064 0.459 . . . . 3.6000000000000001 111.049 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 0.8 OUTLIER -68.05 -44.32 76.66 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.772 -0.649 . . . . 4.0899999999999999 110.611 -179.213 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.4 mt -80.6 -0.32 37.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.644 -0.707 . . . . 3.71 110.405 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t30 . . . . . 0 N--CA 1.472 0.644 0 C-N-CA 123.571 0.748 . . . . 4.1799999999999997 110.714 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 31.6 p . . . . . 0 CA--C 1.502 -0.89 0 N-CA-C 105.924 -1.88 . . . . 3.1699999999999999 105.924 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.77 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.4 mt -61.03 -21.81 63.96 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 118.088 -1.445 . . . . 2.5600000000000001 109.243 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -37.48 87.61 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.586 -1.188 . . . . 4.2800000000000002 110.289 176.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.06 -44.6 88.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 114.786 -1.097 . . . . 3.77 109.767 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' B' ' 42' ' ' MET . 88.3 t -67.5 -43.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.42 -0.809 . . . . 2.6800000000000002 109.147 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.522 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.07 -47.15 84.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.1 -1.409 . . . . 3.1299999999999999 111.128 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -64.7 -49.44 70.9 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.633 -0.712 . . . . 5.21 109.58 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.749 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 41.9 t80 -61.2 -28.64 69.29 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.871 -1.059 . . . . 3.6200000000000001 111.299 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -84.1 -26.26 29.1 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.601 0.715 . . . . 2.9399999999999999 109.619 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.33 30.18 17.26 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.189 -0.914 . . . . 3.6600000000000001 111.292 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.536 ' HB ' HG21 ' B' ' 19' ' ' THR . 17.3 m -139.9 150.19 22.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.268 -0.966 . . . . 3.5299999999999998 110.853 -176.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -49.26 161.52 0.17 Allowed 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 121.753 0.787 . . . . 4.3799999999999999 111.208 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.77 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 54.8 t80 -54.4 -68.9 0.15 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.725 -1.125 . . . . 3.6200000000000001 109.545 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 1.0 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -61.63 -1.37 0.57 Allowed 'General case' 0 CA--C 1.485 -1.538 0 C-N-CA 124.358 1.063 . . . . 5.04 112.055 176.647 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.536 HG21 ' HB ' ' B' ' 15' ' ' VAL 0.255 88.9 m -65.8 -59.51 3.81 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 102.339 -3.208 . . . . 3.7799999999999998 102.339 173.232 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.957 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 2.0 m -77.22 -34.7 21.63 Favored 'Isoleucine or valine' 0 C--N 1.384 2.094 0 O-C-N 125.38 1.675 . . . . 2.9300000000000002 113.501 175.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 1.0 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 62.1 m -59.72 -37.02 77.75 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.696 -0.627 . . . . 3.23 111.742 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.621 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.1 OUTLIER -66.39 -29.81 70.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.039 -1.467 . . . . 5.4000000000000004 107.039 177.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.783 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 72.8 t -65.87 -51.7 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 114.41 -1.268 . . . . 3.1800000000000002 108.736 177.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.427 HG21 HD21 ' B' ' 6' ' ' LEU . 88.1 t . . . . . 0 CA--C 1.537 0.458 0 CA-C-N 114.548 -1.205 . . . . 3.1200000000000001 111.883 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' B' ' 35' ' ' ARG . 18.3 mtm180 . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 120.867 0.365 . . . . 3.9100000000000001 110.235 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.0 -36.54 82.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.54 -0.755 . . . . 2.9399999999999999 109.841 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -71.23 -46.41 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.727 -0.67 . . . . 3.1000000000000001 111.316 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.957 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.7 m -68.21 -47.82 76.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.697 -0.229 . . . . 2.3300000000000001 110.73 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.423 ' N ' ' CG2' ' B' ' 38' ' ' VAL . 5.6 mt-10 -62.08 -37.08 83.68 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.104 -0.702 . . . . 3.0 109.104 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.62 -55.51 19.78 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 108.463 -0.94 . . . . 2.6499999999999999 108.463 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.749 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -49.77 -51.0 42.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 113.135 0.791 . . . . 2.6800000000000002 113.135 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.491 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.8 ptp -64.57 -32.72 74.49 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.809 -0.357 . . . . 2.7400000000000002 110.382 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.95 -44.66 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 3.4300000000000002 111.093 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.45 -43.47 76.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.686 -0.688 . . . . 3.8100000000000001 110.45 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 10.0 mt . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.908 -0.587 . . . . 3.4700000000000002 110.77 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.9 p . . . . . 0 N--CA 1.445 -0.714 0 N-CA-C 106.76 -1.57 . . . . 3.5499999999999998 106.76 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.661 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.4 mt -59.2 -25.1 63.68 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 119.813 -0.755 . . . . 2.8500000000000001 111.318 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -65.05 -37.8 88.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.668 0.747 . . . . 4.3899999999999997 110.377 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -65.63 -44.34 86.75 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.344 -1.298 . . . . 4.1299999999999999 109.807 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.44 HG13 ' HB3' ' A' ' 41' ' ' ALA . 87.0 t -68.52 -42.7 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 CA-C-O 121.67 0.748 . . . . 2.9100000000000001 109.15 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.547 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -56.71 -48.47 77.63 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.437 -1.256 . . . . 3.1400000000000001 111.4 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.61 -48.81 65.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.015 -0.539 . . . . 5.2400000000000002 109.839 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.818 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 52.0 t80 -60.27 -29.56 68.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.277 -0.874 . . . . 3.8199999999999998 111.508 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.3 -27.52 29.74 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.764 0.792 . . . . 2.8700000000000001 109.571 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.51 35.12 8.79 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.688 -1.142 . . . . 3.2799999999999998 110.673 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.611 HG21 HG12 ' A' ' 38' ' ' VAL . 6.2 m -139.27 145.79 26.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 114.245 -0.978 . . . . 3.3900000000000001 110.136 -179.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.3 m -55.16 150.98 9.99 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.599 0.714 . . . . 4.3399999999999999 110.397 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.661 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 82.6 t80 -52.53 -52.01 56.86 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.755 -1.112 . . . . 3.71 112.212 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -22.37 66.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.581 -0.736 . . . . 5.5 111.515 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -65.89 -61.53 2.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.976 -0.379 . . . . 3.6499999999999999 109.976 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.554 ' HB ' ' CG1' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -68.34 -29.15 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 2.8500000000000001 111.84 -178.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -58.03 -44.64 87.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.078 0.466 . . . . 3.1899999999999999 110.129 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.518 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -71.06 -27.73 63.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.497 0.665 . . . . 4.4400000000000004 109.253 179.609 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.828 HG11 HG21 ' A' ' 38' ' ' VAL . 54.7 t -67.25 -50.92 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 114.734 -1.121 . . . . 2.9100000000000001 110.776 -179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.162 -0.926 . . . . 2.7200000000000002 111.602 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.712 ' O ' HG13 ' A' ' 38' ' ' VAL . 1.7 m . . . . . 0 N--CA 1.44 -0.936 0 N-CA-C 112.094 0.405 . . . . 2.8599999999999999 112.094 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.527 ' O ' HG22 ' A' ' 38' ' ' VAL . 30.4 mtm180 -60.39 -41.5 93.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.995 0.426 . . . . 4.1600000000000001 110.363 -177.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -67.42 -31.77 72.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.587 -0.733 . . . . 3.5499999999999998 110.357 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -72.02 -47.86 48.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 2.8399999999999999 109.891 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.828 HG21 HG11 ' A' ' 23' ' ' VAL . 2.2 m -63.58 -44.17 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.842 -0.799 . . . . 2.2599999999999998 108.842 178.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 15.9 mt-10 -57.54 -47.55 81.73 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.106 -0.952 . . . . 3.27 109.857 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -59.15 -53.35 59.27 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 109.357 -0.609 . . . . 2.8599999999999999 109.357 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.818 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -53.36 -51.81 61.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 113.34 0.867 . . . . 2.8900000000000001 113.34 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.414 ' N ' HG13 ' A' ' 9' ' ' VAL . 14.6 ptp -65.26 -31.92 73.32 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.933 -0.307 . . . . 2.8799999999999999 110.273 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.0 -43.78 70.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.811 0.338 . . . . 3.6000000000000001 110.975 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.715 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 23.6 mm-40 -68.64 -45.39 71.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.23 0.538 . . . . 4.0899999999999999 111.023 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.8 mt -80.84 2.16 27.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.444 -0.798 . . . . 3.71 111.269 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.528 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 1.8 t-20 . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 109.326 -0.62 . . . . 4.1799999999999997 109.326 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 CA--C 1.499 -0.997 0 N-CA-C 106.031 -1.841 . . . . 3.1699999999999999 106.031 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.723 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.4 mt -61.43 -20.86 63.58 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 118.604 -1.239 . . . . 2.5600000000000001 109.677 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.24 -40.27 95.69 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 114.952 -1.022 . . . . 4.2800000000000002 109.51 177.637 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -61.67 -44.23 97.34 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 114.158 -1.383 . . . . 3.77 109.568 -178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' B' ' 42' ' ' MET . 75.7 t -68.77 -42.36 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.357 -0.838 . . . . 2.6800000000000002 109.161 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.521 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.5 -46.42 86.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.314 -1.312 . . . . 3.1299999999999999 111.466 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -49.04 71.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.609 -0.723 . . . . 5.21 109.327 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.805 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.3 t80 -61.65 -27.87 68.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.027 -0.988 . . . . 3.6200000000000001 111.272 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.05 -25.39 25.93 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.556 0.693 . . . . 2.9399999999999999 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.21 31.65 16.33 Favored Glycine 0 CA--C 1.498 -0.997 0 CA-C-N 114.728 -1.124 . . . . 3.6600000000000001 111.598 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.62 ' HB ' HG21 ' B' ' 19' ' ' THR . 6.9 m -139.54 150.53 22.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.611 -0.795 . . . . 3.5299999999999998 111.073 -177.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.3 m -50.55 161.46 0.32 Allowed 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 121.896 0.855 . . . . 4.3799999999999999 111.531 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.723 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 76.0 t80 -57.51 -63.73 1.13 Allowed 'General case' 0 C--O 1.196 -1.742 0 CA-C-N 114.706 -1.134 . . . . 3.6200000000000001 111.634 -179.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.704 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.8 OUTLIER -62.15 10.47 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 126.294 1.837 . . . . 5.04 110.845 167.044 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.62 HG21 ' HB ' ' B' ' 15' ' ' VAL . 23.4 m -78.98 -65.34 1.01 Allowed 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 104.738 -2.319 . . . . 3.7799999999999998 104.738 162.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -76.28 -31.24 20.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 C-N-CA 126.637 1.975 . . . . 2.9300000000000002 113.463 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.704 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 17.8 t -60.31 -40.29 90.05 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 108.531 -0.914 . . . . 3.23 108.531 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -66.31 -32.23 73.5 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.898 -1.149 . . . . 5.4000000000000004 107.898 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.823 HG11 HG21 ' B' ' 38' ' ' VAL . 83.8 t -66.1 -50.9 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 114.108 -1.406 . . . . 3.1800000000000002 109.687 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.448 HG21 HD21 ' B' ' 6' ' ' LEU . 53.6 t . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 114.985 -1.007 . . . . 3.1200000000000001 112.353 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 35' ' ' ARG . 2.6 ttm180 . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 121.032 0.444 . . . . 3.9100000000000001 110.614 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -67.35 -40.75 85.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.474 -0.785 . . . . 2.9399999999999999 111.33 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -71.23 -43.59 67.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.902 -0.59 . . . . 3.1000000000000001 111.223 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -66.85 -44.12 89.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.793 -0.447 . . . . 2.3300000000000001 109.793 179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -61.92 -37.81 86.09 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.323 -0.621 . . . . 3.0 109.323 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -64.42 -53.21 51.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.854 -0.795 . . . . 2.6499999999999999 108.854 177.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.805 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.02 -51.36 57.88 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.525 -0.761 . . . . 2.6800000000000002 112.94 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.43 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.8 ptp -64.78 -32.0 73.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 121.011 -0.276 . . . . 2.7400000000000002 110.549 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.09 -42.01 73.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.382 . . . . 3.4300000000000002 111.049 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.494 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 4.3 mm-40 -69.37 -44.83 70.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.378 0.609 . . . . 3.8100000000000001 110.853 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 7.6 mt . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 115.327 -0.851 . . . . 3.4700000000000002 110.706 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.4 ttp . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 110.135 -0.32 . . . . 8.1099999999999994 110.135 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.661 ' HD2' ' HD2' ' A' ' 3' ' ' PRO . 22.8 tptp -147.52 118.16 4.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.613 -0.267 . . . . 7.29 110.468 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.661 ' HD2' ' HD2' ' A' ' 2' ' ' LYS . 37.3 Cg_endo -67.2 -173.73 0.45 Allowed 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.836 2.357 . . . . 4.3700000000000001 112.139 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.627 HG13 ' HB2' ' A' ' 8' ' ' ASP . 21.9 t -54.48 148.85 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 122.595 1.188 . . . . 3.4500000000000002 113.327 -178.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.3 p -124.55 162.13 24.7 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 105.565 -2.013 . . . . 3.5499999999999998 105.565 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.756 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 1.5 mt -60.1 -22.75 63.17 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 119.152 -1.019 . . . . 2.8500000000000001 110.583 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -65.3 -36.95 85.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.316 -0.856 . . . . 4.3899999999999997 110.255 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.627 ' HB2' HG13 ' A' ' 4' ' ' VAL . 19.2 m-20 -65.77 -45.11 83.73 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 114.637 -1.165 . . . . 4.1299999999999999 110.121 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.467 HG13 ' HB3' ' A' ' 41' ' ' ALA . 91.9 t -67.29 -39.93 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 108.81 -0.811 . . . . 2.9100000000000001 108.81 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.614 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -59.54 -48.28 82.28 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.372 -1.286 . . . . 3.1400000000000001 111.057 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.65 -50.14 66.08 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.564 -0.744 . . . . 5.2400000000000002 109.61 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.791 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 53.6 t80 -61.44 -27.81 68.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.84 -1.073 . . . . 3.8199999999999998 111.69 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.535 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.31 -27.3 27.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.862 0.839 . . . . 2.8700000000000001 109.435 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.45 35.11 8.84 Favored Glycine 0 N--CA 1.441 -1.016 0 CA-C-N 114.549 -1.205 . . . . 3.2799999999999998 110.809 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.678 HG11 HG23 ' A' ' 34' ' ' THR . 6.4 m -139.55 147.28 24.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 114.242 -0.979 . . . . 3.3900000000000001 110.348 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.2 m -56.1 151.97 11.35 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.578 0.704 . . . . 4.3399999999999999 110.193 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.739 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 83.1 t80 -53.37 -51.07 63.66 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.816 -1.084 . . . . 3.71 112.117 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' H ' ' HG2' ' A' ' 18' ' ' GLN . 26.4 mm-40 -60.74 -21.22 62.75 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.965 -1.016 . . . . 5.5 111.317 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.7 m -70.11 -62.49 1.36 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.36 -0.382 . . . . 3.6499999999999999 110.434 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -69.46 -29.86 43.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.917 -0.583 . . . . 2.8500000000000001 111.795 -179.078 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.1 t -58.3 -44.82 88.71 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.438 -0.579 . . . . 3.1899999999999999 109.438 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.844 HH11 HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.39 -26.55 62.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.114 -0.698 . . . . 4.4400000000000004 109.114 179.484 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.147 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 42.8 t -66.04 -50.21 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.19 -0.914 . . . . 2.9100000000000001 110.067 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.483 HG12 ' ND2' ' A' ' 25' ' ' ASN . 0.8 OUTLIER -64.4 -17.88 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.15 -0.932 . . . . 2.7200000000000002 111.354 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.483 ' ND2' HG12 ' A' ' 24' ' ' VAL . 14.1 m-80 -105.63 -10.99 16.51 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.308 0.855 . . . . 3.6800000000000002 113.308 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 176.79 -55.63 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.095 0.406 . . . . 6.0800000000000001 112.095 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.147 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 59.07 51.68 6.9 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.076 0.465 . . . . 4.6299999999999999 111.459 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -64.76 -60.81 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.728 -0.669 . . . . 5.0899999999999999 111.512 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -101.56 75.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.085 -0.507 . . . . 5.7999999999999998 110.149 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.844 HG22 HH11 ' A' ' 22' ' ' ARG . 9.0 t -139.34 147.09 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.854 -0.612 . . . . 4.2300000000000004 110.07 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.58 176.58 8.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.978 0.418 . . . . 3.6600000000000001 111.826 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.22 -68.44 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.693 -0.685 . . . . 3.2799999999999998 112.565 -179.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -49.27 -34.99 16.59 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.594 0.59 . . . . 4.5899999999999999 112.594 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.754 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.8 m -60.76 -46.23 91.26 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 121.02 -0.272 . . . . 2.8599999999999999 111.2 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 25.1 mtt180 -65.42 -34.3 77.97 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.19 -0.671 . . . . 4.1600000000000001 109.19 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 31.2 mt-10 -64.76 -42.67 94.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.086 -0.961 . . . . 3.5499999999999998 111.296 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -37.55 52.41 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.128 -0.629 . . . . 2.8399999999999999 111.613 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.063 HG21 HG11 ' A' ' 23' ' ' VAL . 3.3 m -63.65 -47.39 91.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 108.549 -0.908 . . . . 2.2599999999999998 108.549 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 2.8 mt-10 -60.43 -42.94 97.09 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.618 -0.719 . . . . 3.27 109.407 177.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 44' ' ' GLU . . . -61.46 -56.64 17.95 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.256 -0.646 . . . . 2.8599999999999999 109.256 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.791 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -49.95 -51.58 40.2 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 113.265 0.839 . . . . 2.8900000000000001 113.265 -178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.0 ptp -64.44 -32.07 73.55 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.631 -0.428 . . . . 2.8799999999999999 110.318 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.27 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.968 0.413 . . . . 3.6000000000000001 111.162 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 1.4 mt-10 -68.61 -44.31 74.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.635 -0.712 . . . . 4.0899999999999999 110.806 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -80.6 -0.56 38.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.993 -0.548 . . . . 3.71 110.867 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 1.7 t-20 74.48 -47.85 0.64 Allowed 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.704 0.628 . . . . 4.1799999999999997 109.789 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.756 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.1 t80 59.58 96.6 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.116 -0.947 . . . . 3.1000000000000001 113.346 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.487 HD11 HD22 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -129.25 109.69 17.92 Favored Pre-proline 0 N--CA 1.447 -0.622 0 N-CA-C 107.773 -1.195 . . . . 3.7000000000000002 107.773 177.213 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.93 -70.45 0.03 OUTLIER 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.318 2.679 . . . . 3.6000000000000001 114.297 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.487 HD22 HD11 ' A' ' 48' ' ' ILE . 0.6 OUTLIER 63.36 40.68 8.3 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.236 0.541 . . . . 5.1399999999999997 110.116 -178.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HD2' " O4'" ' D' ' 10' ' ' ' DA' . 0.0 OUTLIER -88.07 11.5 15.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.845 -0.616 . . . . 9.0 111.393 -179.188 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 75.0 m -111.87 -91.59 0.48 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.469 -0.332 . . . . 5.8700000000000001 110.562 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -173.37 72.86 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.115 0.483 . . . . 7.9500000000000002 110.622 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -106.72 -67.9 0.92 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.848 -0.614 . . . . 10.550000000000001 110.177 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.12 -4.11 2.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.899 0.38 . . . . 13.16 110.928 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.2 tp -90.4 91.34 8.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.234 -0.439 . . . . 12.140000000000001 110.577 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.42 -76.21 0.29 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.062 -0.517 . . . . 14.140000000000001 110.982 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.65 122.91 23.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.049 -0.595 . . . . 16.039999999999999 112.234 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.518 ' HE2' H5'' ' C' ' 13' ' ' ' DT' . 31.6 mtmm -130.01 -65.92 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.626 0.251 . . . . 17.800000000000001 110.863 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.498 ' HG3' ' HG ' ' A' ' 62' ' ' LEU . 48.0 tp60 -124.73 127.15 46.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.813 0.339 . . . . 19.609999999999999 110.391 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.68 99.43 9.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.169 -0.468 . . . . 20.57 110.884 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.629 ' HB2' " H4'" ' C' ' 14' ' ' ' DT' . 92.9 mt . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.289 -0.414 . . . . 21.890000000000001 110.079 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.1 ttm . . . . . 0 C--O 1.233 0.235 0 CA-C-O 121.144 0.497 . . . . 10.35 110.787 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -118.79 85.28 27.55 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.141 -0.481 . . . . 8.3300000000000001 110.129 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.49 -52.25 0.14 Allowed 'Trans proline' 0 CA--C 1.515 -0.475 0 C-N-CA 123.12 2.546 . . . . 4.4900000000000002 113.076 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.576 HG13 ' HB2' ' B' ' 8' ' ' ASP . 21.3 t -133.77 144.54 35.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 122.464 1.126 . . . . 3.1600000000000001 112.437 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.533 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.2 OUTLIER -116.81 155.55 28.78 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 104.885 -2.265 . . . . 3.1699999999999999 104.885 175.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.824 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.1 mt -59.99 -20.37 57.36 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 118.722 -1.191 . . . . 2.5600000000000001 110.59 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -37.2 86.38 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.284 -0.871 . . . . 4.2800000000000002 109.999 177.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.576 ' HB2' HG13 ' B' ' 4' ' ' VAL . 30.3 m-20 -65.44 -44.73 86.4 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 114.067 -1.424 . . . . 3.77 110.472 -178.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.405 HG13 ' N ' ' B' ' 42' ' ' MET . 89.9 t -67.46 -40.13 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 108.634 -0.876 . . . . 2.6800000000000002 108.634 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.547 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -59.96 -46.98 87.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.15 -1.386 . . . . 3.1299999999999999 111.318 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -65.99 -49.46 67.72 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.302 0.572 . . . . 5.21 109.636 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.842 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 42.4 t80 -59.81 -28.18 67.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.065 -0.971 . . . . 3.6200000000000001 111.274 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.417 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -86.66 -26.48 24.32 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.283 -0.636 . . . . 2.9399999999999999 109.283 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.38 33.37 10.52 Favored Glycine 0 CA--C 1.499 -0.932 0 CA-C-N 115.069 -0.969 . . . . 3.6600000000000001 111.212 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.636 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.0 m -139.85 151.4 22.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 114.679 -0.761 . . . . 3.5299999999999998 112.078 -176.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.551 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -51.1 156.59 1.04 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.536 0.684 . . . . 4.3799999999999999 109.755 178.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.824 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 90.4 t80 -56.62 -58.31 8.6 Favored 'General case' 0 CA--C 1.49 -1.363 0 CA-C-N 115.475 -0.784 . . . . 3.6200000000000001 109.373 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.862 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -72.69 7.74 1.79 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 120.393 -0.523 . . . . 5.04 111.571 178.571 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.636 HG21 ' HB ' ' B' ' 15' ' ' VAL . 22.4 m -72.5 -62.62 1.38 Allowed 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 101.996 -3.335 . . . . 3.7799999999999998 101.996 170.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.764 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 0.8 OUTLIER -74.89 -35.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 113.085 -1.871 . . . . 2.9300000000000002 113.604 178.338 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.862 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 73.9 m -60.39 -34.98 74.68 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.167 0.508 . . . . 3.23 110.4 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -33.39 74.64 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.137 -1.431 . . . . 5.4000000000000004 107.137 177.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.921 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 43.0 t -65.66 -49.84 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.034 -1.439 . . . . 3.1800000000000002 109.387 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.97 -20.23 26.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.847 -1.07 . . . . 3.1200000000000001 111.851 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 9.3 m-80 -97.68 -10.52 24.86 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.94 -0.704 . . . . 4.0700000000000003 112.724 -176.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.44 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 3.6 pt20 163.63 -44.48 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.115 0.566 . . . . 6.0300000000000002 111.36 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.921 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 52.46 45.06 29.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.776 0.83 . . . . 4.4800000000000004 112.526 -178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.2 p -77.66 -11.15 59.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.42 0.629 . . . . 5.6900000000000004 110.606 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -135.4 85.17 2.15 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.652 -0.703 . . . . 6.5300000000000002 109.9 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.454 ' HA ' " H3'" ' D' ' 2' ' ' ' DG' . 3.6 m -158.89 -171.4 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 C-N-CA 122.869 0.467 . . . . 4.4299999999999997 110.764 -178.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 6.3 p -112.84 174.09 6.07 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.74 -0.664 . . . . 3.96 109.816 177.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -68.54 -64.11 0.93 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.357 0.503 . . . . 3.3100000000000001 112.357 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -49.36 -35.36 18.39 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.991 0.737 . . . . 4.9000000000000004 112.991 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.714 ' O ' HG13 ' B' ' 38' ' ' VAL . 92.4 m -61.57 -50.71 71.54 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 111.823 0.305 . . . . 3.1299999999999999 111.823 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.47 ' O ' HG22 ' B' ' 38' ' ' VAL . 40.5 mtm-85 -61.58 -40.15 93.74 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-O 121.01 0.433 . . . . 3.9100000000000001 110.758 -178.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 20.4 mt-10 -68.07 -32.66 73.16 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.644 -0.707 . . . . 2.9399999999999999 111.256 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -73.5 -44.33 58.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 3.1000000000000001 110.38 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.805 HG21 HG11 ' B' ' 23' ' ' VAL . 2.8 m -68.01 -42.7 85.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.062 -0.718 . . . . 2.3300000000000001 109.062 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 4.6 mt-10 -57.6 -44.15 85.22 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.334 -0.848 . . . . 3.0 109.546 177.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -63.44 -52.03 63.17 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 109.368 -0.605 . . . . 2.6499999999999999 109.368 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.842 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.87 -52.0 58.99 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.345 0.869 . . . . 2.6800000000000002 113.345 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.418 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 15.3 ptp -64.32 -31.8 73.14 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 121.164 -0.214 . . . . 2.7400000000000002 110.508 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.11 -42.42 72.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 3.4300000000000002 111.229 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 54.3 mm-40 -69.78 -44.89 69.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.432 0.634 . . . . 3.8100000000000001 111.037 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.0 mt -80.2 1.05 29.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.288 -0.869 . . . . 3.4700000000000002 110.803 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 t30 74.64 -51.81 0.68 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.449 0.7 . . . . 4.3899999999999997 109.971 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.766 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 6.7 t80 51.21 98.45 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 O-C-N 124.108 0.88 . . . . 2.9700000000000002 112.917 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.412 ' H ' HD13 ' B' ' 48' ' ' ILE . 0.2 OUTLIER -75.11 154.17 86.47 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.344 -0.843 . . . . 3.9700000000000002 110.339 179.553 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.73 54.37 2.5 Favored 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 122.879 2.386 . . . . 3.6600000000000001 113.126 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' B' ' 56' ' ' LEU . 63.5 t30 -153.86 72.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.185 0.517 . . . . 5.1100000000000003 110.23 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.71 ' HD2' HD12 ' B' ' 6' ' ' LEU . 7.7 ptt180 -73.77 -42.59 60.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.049 -0.523 . . . . 8.3200000000000003 109.9 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.582 ' HB3' " H4'" ' C' ' 11' ' ' ' DT' . 1.4 p -95.85 -100.14 0.17 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.771 -0.65 . . . . 6.1200000000000001 110.32 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -161.88 82.27 0.57 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 121.164 0.507 . . . . 7.4400000000000004 110.568 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -88.45 -55.8 3.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.626 -0.715 . . . . 10.52 110.672 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -134.39 19.89 3.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.055 -0.521 . . . . 12.48 110.278 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.442 ' HB3' ' ND2' ' B' ' 50' ' ' ASN . 1.3 tm? -163.24 123.23 2.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.577 -0.738 . . . . 11.92 109.362 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.442 ' HB1' H5'' ' D' ' 12' ' ' ' DC' . . . -129.42 -174.8 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.361 -0.381 . . . . 12.460000000000001 110.877 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.22 136.47 5.34 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.002 -0.618 . . . . 14.220000000000001 112.065 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -161.52 143.52 11.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.602 0.239 . . . . 16.629999999999999 110.678 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -152.87 162.67 41.01 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.571 -0.529 . . . . 18.329999999999998 109.571 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.624 ' HB2' H5'' ' C' ' 9' ' ' ' DT' . 7.5 t -146.48 -177.06 5.43 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.792 -0.447 . . . . 19.620000000000001 109.792 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 C--O 1.246 0.911 0 O-C-N 123.904 0.753 . . . . 21.170000000000002 110.89 179.86 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.499 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.594 0 O4'-C1'-C2' 107.043 0.857 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.413 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-N19 109.165 1.706 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O3'-P-O5' 101.055 -1.55 . . . . 5.9000000000000004 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-N19 109.163 1.703 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 O3'-P-O5' 100.345 -1.923 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O3'-P-O5' 100.276 -1.96 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O3'-P-O5' 100.23 -1.984 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O3'-P-O5' 100.312 -1.941 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.624 H5'' ' HB2' ' B' ' 61' ' ' SER . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O3'-P-O5' 100.047 -2.081 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.45 ' C8 ' ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.122 0 O3'-P-O5' 100.186 -2.007 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.582 " H4'" ' HB3' ' B' ' 52' ' ' CYS . . . . . . . . 0 O3'--C3' 1.419 -0.897 0 C5'-C4'-C3' 111.015 -2.457 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.425 ' OP2' H2'' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.417 -1.107 0 O3'-P-O5' 98.715 -2.782 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.518 H5'' ' HE2' ' A' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.422 -1.148 0 C5'-C4'-C3' 111.719 -1.988 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.629 " H4'" ' HB2' ' A' ' 62' ' ' LEU . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O3'-P-O5' 99.766 -2.228 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 O3'-P-O5' 100.159 -2.022 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 O3'-P-O5' 100.637 -1.77 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O4'-C1'-N19 108.883 1.354 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.222 1.02 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.561 0 O4'-C1'-N19 108.797 1.246 . . . . 7.4000000000000004 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.454 " H3'" ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.423 -1.062 0 O4'-C1'-N19 109.043 1.554 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-N19 109.242 1.803 . . . . 6.2400000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.42 -0.826 0 O3'-P-O5' 99.941 -2.136 . . . . 6.2199999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O3'-P-O5' 100.753 -1.709 . . . . 7.4699999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.091 0 O3'-P-O5' 100.356 -1.918 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.418 -1.0 0 O3'-P-O5' 99.626 -2.302 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.076 0 O3'-P-O5' 99.885 -2.166 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.052 0 O3'-P-O5' 99.768 -2.227 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . 0.493 " O4'" ' HD2' ' A' ' 51' ' ' ARG . . . . . . . . 0 O5'--C5' 1.422 -1.14 0 O3'-P-O5' 99.826 -2.197 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.114 0 O3'-P-O5' 99.361 -2.442 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.442 H5'' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 O3'--C3' 1.417 -1.061 0 O3'-P-O5' 99.692 -2.267 . . . . 4.5800000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.091 0 O3'-P-O5' 99.92 -2.148 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O3'-P-O5' 99.963 -2.125 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . 0.406 " C2'" ' H72' ' D' ' 16' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O3'-P-O5' 100.501 -1.841 . . . . 8.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . 0.406 ' H72' " C2'" ' D' ' 15' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.991 0 O4'-C1'-N19 109.233 1.791 . . . . 8.9100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O3'-P-O5' 101.424 -1.356 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 107.071 0.883 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.855 0.36 . . . . 8.1099999999999994 110.687 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -88.01 141.65 31.51 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 7.29 110.614 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -86.82 -109.13 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.773 2.316 . . . . 4.3700000000000001 112.146 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.654 HG13 ' HB2' ' A' ' 8' ' ' ASP . 39.7 t -139.04 146.25 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.804 0.811 . . . . 3.4500000000000002 110.908 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.3 p -121.96 163.5 19.21 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 105.711 -1.959 . . . . 3.5499999999999998 105.711 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.777 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.3 mt -59.78 -21.63 61.06 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 118.954 -1.099 . . . . 2.8500000000000001 110.562 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -64.79 -38.78 92.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.273 -0.876 . . . . 4.3899999999999997 110.632 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.654 ' HB2' HG13 ' A' ' 4' ' ' VAL . 16.4 m-20 -64.62 -45.59 86.21 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 114.413 -1.267 . . . . 4.1299999999999999 110.423 -177.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.471 HG13 ' HB3' ' A' ' 41' ' ' ALA . 84.1 t -68.09 -41.48 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 CA-C-N 115.535 -0.757 . . . . 2.9100000000000001 109.092 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.615 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.65 -49.17 77.35 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.422 -1.263 . . . . 3.1400000000000001 111.585 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -67.2 -47.85 69.68 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.729 -0.668 . . . . 5.2400000000000002 109.777 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.782 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 49.3 t80 -61.48 -30.08 70.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.801 -0.636 . . . . 3.8199999999999998 111.445 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -81.63 -27.29 34.21 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.839 0.828 . . . . 2.8700000000000001 109.851 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.06 34.02 9.17 Favored Glycine 0 N--CA 1.44 -1.095 0 CA-C-N 114.629 -1.168 . . . . 3.2799999999999998 110.702 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.851 HG11 HG23 ' A' ' 34' ' ' THR . 4.7 m -139.25 146.83 25.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.143 -1.028 . . . . 3.3900000000000001 110.242 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 m -54.88 151.0 9.18 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.612 0.72 . . . . 4.3399999999999999 110.809 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.611 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 58.1 t80 -52.51 -51.78 57.83 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 114.518 -1.219 . . . . 3.71 111.894 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -24.46 66.65 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.699 -1.137 . . . . 5.5 112.134 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -67.4 -60.86 2.23 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.818 0.342 . . . . 3.6499999999999999 110.861 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.615 HG11 ' HA ' ' A' ' 10' ' ' ALA . 1.4 m -68.02 -28.54 41.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.034 -0.53 . . . . 2.8500000000000001 112.03 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.2 m -55.85 -43.72 77.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.239 0.542 . . . . 3.1899999999999999 109.697 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.527 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . 19.1 mtt180 -70.62 -29.39 65.76 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.581 -0.736 . . . . 4.4400000000000004 109.718 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.949 HG11 HG21 ' A' ' 38' ' ' VAL . 88.9 t -65.41 -44.21 94.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.106 -0.952 . . . . 2.9100000000000001 110.022 -179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.88 -20.82 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.498 0.666 . . . . 2.7200000000000002 109.834 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 16.2 m-80 -102.0 4.59 40.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.722 -0.672 . . . . 3.6800000000000002 110.845 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 47.1 mt-30 86.77 -41.09 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.474 1.11 . . . . 6.0800000000000001 110.916 177.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . . . 63.5 -121.34 0.55 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.782 0.676 . . . . 4.6299999999999999 112.098 178.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.5 p -166.22 -50.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.178 0.513 . . . . 5.0899999999999999 111.362 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.6 ' HB3' ' OP2' ' C' ' 2' ' ' ' DG' . 53.5 m80 -99.89 -131.53 0.24 Allowed 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.874 -0.603 . . . . 5.7999999999999998 109.981 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG13 ' OP2' ' C' ' 3' ' ' ' DA' . 33.6 t 73.93 150.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 115.32 -0.854 . . . . 4.2300000000000004 111.147 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.05 175.43 10.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 3.6600000000000001 112.259 -178.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.508 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.94 -64.41 0.91 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.608 -0.724 . . . . 3.2799999999999998 112.566 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.4 pttt -50.07 -34.28 21.18 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.813 0.671 . . . . 4.5899999999999999 112.813 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.851 HG23 HG11 ' A' ' 15' ' ' VAL . 31.6 m -64.72 -44.08 91.34 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 121.176 -0.209 . . . . 2.8599999999999999 111.056 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HG3' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -63.01 -38.43 91.16 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 109.268 -0.642 . . . . 4.1600000000000001 109.268 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 38.5 mt-10 -68.63 -34.23 75.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.763 -1.108 . . . . 3.5499999999999998 110.526 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -70.57 -46.39 63.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.841 -0.618 . . . . 2.8399999999999999 110.754 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.949 HG21 HG11 ' A' ' 23' ' ' VAL . 2.3 m -65.43 -44.91 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.478 -0.564 . . . . 2.2599999999999998 109.478 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.57 -41.22 97.08 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.724 -0.671 . . . . 3.27 109.362 178.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.57 -56.22 22.27 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.414 -0.958 . . . . 2.8599999999999999 108.414 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.782 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.67 -51.4 49.66 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 113.246 0.832 . . . . 2.8900000000000001 113.246 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.414 ' N ' HG13 ' A' ' 9' ' ' VAL . 16.0 ptp -64.73 -32.39 74.04 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.865 -0.334 . . . . 2.8799999999999999 110.445 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.93 65.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.989 0.423 . . . . 3.6000000000000001 111.156 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.09 -44.53 72.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.799 -0.637 . . . . 4.0899999999999999 110.895 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.1 mt -80.97 0.42 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.922 -0.581 . . . . 3.71 110.998 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t30 73.33 -45.82 0.62 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.601 0.76 . . . . 4.1799999999999997 110.244 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.777 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.3 t80 54.09 87.09 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.798 0.808 . . . . 3.1000000000000001 112.122 178.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.414 HD11 ' HB2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -110.86 112.51 55.84 Favored Pre-proline 0 N--CA 1.446 -0.627 0 CA-C-N 115.251 -0.886 . . . . 3.7000000000000002 108.754 178.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -79.66 100.79 1.33 Allowed 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.798 2.332 . . . . 3.6000000000000001 113.397 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' HB2' HD11 ' A' ' 48' ' ' ILE . 9.7 t30 -129.03 78.61 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.852 -0.613 . . . . 5.1399999999999997 109.808 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.4 ttt-85 -99.71 48.27 0.94 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.851 -0.613 . . . . 9.0 110.419 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.35 109.17 4.23 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.999 0.904 . . . . 5.8700000000000001 110.215 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -108.51 177.13 4.88 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 113.835 -1.529 . . . . 7.9500000000000002 110.733 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.402 HE22 ' HG2' ' B' ' 54' ' ' GLN . 0.0 OUTLIER -112.51 -31.3 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.245 0.545 . . . . 10.550000000000001 110.377 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.56 -49.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.476 -0.783 . . . . 13.16 110.172 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.9 tp -179.76 -78.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.391 -0.822 . . . . 12.140000000000001 108.868 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.31 128.0 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.668 -0.696 . . . . 14.140000000000001 109.762 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.35 53.45 0.2 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.447 -0.882 . . . . 16.039999999999999 112.494 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt 64.86 -140.66 0.23 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 122.645 0.378 . . . . 17.800000000000001 111.03 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -98.18 9.97 41.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.079 0.466 . . . . 19.609999999999999 110.622 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.79 139.17 44.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 20.57 111.208 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 21.890000000000001 110.839 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ptp . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.068 0.461 . . . . 10.35 110.554 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -160.25 116.27 1.46 Allowed Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.659 -0.7 . . . . 8.3300000000000001 110.291 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -72.89 -178.92 3.79 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.288 1.992 . . . . 4.4900000000000002 111.0 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.63 HG13 ' HB2' ' B' ' 8' ' ' ASP . 60.1 t -70.23 138.53 21.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 122.251 1.024 . . . . 3.1600000000000001 111.107 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.677 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.1 OUTLIER -107.84 153.45 22.99 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 104.761 -2.311 . . . . 3.1699999999999999 104.761 176.535 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 1.13 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.3 mt -59.16 -21.23 59.06 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.849 -1.14 . . . . 2.5600000000000001 110.452 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.47 -36.34 83.43 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.898 -1.046 . . . . 4.2800000000000002 109.724 177.122 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.63 ' HB2' HG13 ' B' ' 4' ' ' VAL . 37.7 m-20 -65.88 -44.05 86.46 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.423 -1.262 . . . . 3.77 110.101 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' B' ' 42' ' ' MET . 79.7 t -67.58 -41.02 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-O 121.923 0.868 . . . . 2.6800000000000002 109.014 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.57 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.8 -47.54 85.86 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.13 -1.396 . . . . 3.1299999999999999 111.376 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.92 -48.65 73.39 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.68 -0.691 . . . . 5.21 109.252 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.826 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.4 t80 -60.87 -27.55 68.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.103 -0.953 . . . . 3.6200000000000001 111.636 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.437 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -86.67 -25.68 24.7 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.51 0.672 . . . . 2.9399999999999999 109.354 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.83 31.14 15.94 Favored Glycine 0 CA--C 1.496 -1.123 0 CA-C-N 115.031 -0.986 . . . . 3.6600000000000001 111.624 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.593 ' HB ' HG21 ' B' ' 19' ' ' THR . 13.5 m -139.89 151.38 21.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.621 -0.79 . . . . 3.5299999999999998 110.395 -176.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -50.82 156.41 0.97 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.475 0.655 . . . . 4.3799999999999999 110.653 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.804 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 59.6 t80 -51.5 -58.67 5.65 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 115.416 -0.811 . . . . 3.6200000000000001 109.315 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.701 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.4 8.72 2.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.889 0.852 . . . . 5.04 112.621 179.547 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.593 HG21 ' HB ' ' B' ' 15' ' ' VAL . 52.2 m -74.46 -57.38 3.97 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 102.432 -3.173 . . . . 3.7799999999999998 102.432 173.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.851 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -78.77 -34.68 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 111.995 -2.366 . . . . 2.9300000000000002 113.22 175.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.701 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 20.1 m -64.94 -28.88 69.82 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 120.704 -1.247 . . . . 3.23 109.09 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.662 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 5.8 ttt180 -64.73 -36.01 82.92 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 106.952 -1.499 . . . . 5.4000000000000004 106.952 176.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.786 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 82.8 t -62.72 -52.97 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 113.76 -1.563 . . . . 3.1800000000000002 109.344 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -68.91 -20.31 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.348 -0.842 . . . . 3.1200000000000001 111.91 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.553 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 0.9 OUTLIER -95.15 8.58 42.59 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 122.197 -0.314 . . . . 4.0700000000000003 110.627 -178.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.553 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 0.8 OUTLIER 87.94 74.16 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.649 0 O-C-N 124.332 1.02 . . . . 6.0300000000000002 108.354 178.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.677 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -69.87 103.01 2.09 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.572 -1.649 . . . . 4.4800000000000004 112.478 -177.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.99 -15.02 42.82 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.941 0.401 . . . . 5.6900000000000004 110.61 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.651 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 35.0 m-70 -137.38 91.34 2.6 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.407 -0.361 . . . . 6.5300000000000002 111.188 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.678 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 4.5 m -149.25 177.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.667 -0.697 . . . . 4.4299999999999997 110.256 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 15.6 m -114.81 163.39 15.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.684 0.278 . . . . 3.96 111.055 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.621 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -55.36 -68.38 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.549 -0.75 . . . . 3.3100000000000001 112.7 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.5 ' O ' ' HD3' ' B' ' 37' ' ' LYS . 22.2 pttt -46.69 -39.36 11.32 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.29 0.478 . . . . 4.9000000000000004 112.29 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.709 ' O ' HG13 ' B' ' 38' ' ' VAL . 9.4 m -59.52 -50.29 74.5 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 121.051 -0.26 . . . . 3.1299999999999999 110.734 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.517 ' HA ' HG22 ' B' ' 38' ' ' VAL . 22.9 mtm180 -64.13 -35.19 79.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.354 -0.385 . . . . 3.9100000000000001 110.071 -178.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 59.1 mt-10 -65.16 -36.32 83.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.989 -0.551 . . . . 2.9399999999999999 110.385 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.5 ' HD3' ' O ' ' B' ' 33' ' ' LYS . 7.2 mtpp -78.43 -43.69 26.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.953 -0.567 . . . . 3.1000000000000001 110.998 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.851 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.5 m -66.7 -45.14 88.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.737 -0.468 . . . . 2.3300000000000001 109.737 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 11.0 mt-10 -59.7 -42.97 94.19 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.06 -0.719 . . . . 3.0 109.06 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.714 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.93 -54.3 43.74 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.151 -0.685 . . . . 2.6499999999999999 109.151 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.826 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.38 -51.54 53.71 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 113.077 0.769 . . . . 2.6800000000000002 113.077 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 17.0 ptp -65.29 -32.79 74.63 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 120.795 -0.362 . . . . 2.7400000000000002 110.271 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.73 -42.45 70.54 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.9 0.381 . . . . 3.4300000000000002 111.546 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.714 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.1 mm-40 -68.76 -44.56 73.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.925 -0.579 . . . . 3.8100000000000001 110.475 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.5 mt -81.04 1.08 32.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.432 -0.804 . . . . 3.4700000000000002 110.406 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.3 t30 75.3 -57.23 0.6 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.759 0.824 . . . . 4.3899999999999997 109.814 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 1.13 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 11.2 t80 53.01 107.86 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 O-C-N 124.12 0.888 . . . . 2.9700000000000002 113.107 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.11 150.18 52.87 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.09 -0.959 . . . . 3.9700000000000002 110.843 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.59 140.91 93.63 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.689 2.259 . . . . 3.6600000000000001 112.597 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -148.47 94.3 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.899 -0.591 . . . . 5.1100000000000003 110.009 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -157.52 81.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.913 -0.585 . . . . 8.3200000000000003 109.937 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.1 m -82.12 -65.93 0.95 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.164 -0.471 . . . . 6.1200000000000001 111.282 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 52' ' ' CYS . . . 64.73 -157.51 0.3 Allowed 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 123.499 0.499 . . . . 7.4400000000000004 110.429 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.402 ' HG2' HE22 ' A' ' 54' ' ' GLN . 5.6 pt20 -132.56 10.3 4.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.1 0.476 . . . . 10.52 110.53 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.446 ' HG3' HD12 ' B' ' 56' ' ' LEU . 0.5 OUTLIER -161.33 19.43 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.84 -0.618 . . . . 12.48 110.719 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.446 HD12 ' HG3' ' B' ' 55' ' ' GLN . 3.8 mp -133.97 30.1 3.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 11.92 110.332 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.3 116.08 10.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.787 -0.642 . . . . 12.460000000000001 110.561 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.04 -82.03 1.38 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.863 -0.684 . . . . 14.220000000000001 111.604 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -129.26 -75.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.966 -0.383 . . . . 16.629999999999999 109.966 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -140.26 152.4 45.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.318 -0.401 . . . . 18.329999999999998 110.361 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 3.7 m -124.81 151.98 44.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.441 -0.345 . . . . 19.620000000000001 110.506 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.253 -0.879 . . . . 21.170000000000002 110.291 -179.829 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.469 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.59 0 O4'-C1'-N19 108.723 1.154 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.6 ' OP2' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.423 -1.074 0 O4'-C1'-N19 109.585 2.231 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.423 ' OP2' HG13 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 109.097 1.621 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-N19 109.214 1.767 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-N19 108.801 1.252 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-N19 109.411 2.013 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-N19 109.655 2.319 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.433 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 109.149 1.686 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.433 ' H72' " C2'" ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O3'-P-O5' 101.198 -1.475 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.412 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-N19 109.195 1.743 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.677 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O3'--C3' 1.419 -0.912 0 O4'-C1'-N19 109.617 2.271 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O3'-P-O5' 99.322 -2.462 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.414 " C2'" ' H72' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O3'-P-O5' 99.867 -2.175 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.414 ' H72' " C2'" ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 O3'-P-O5' 100.707 -1.733 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.039 0 O4'-C1'-N19 109.133 1.667 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O3'-P-O5' 100.453 -1.867 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.016 0 O3'-P-O5' 101.511 -1.31 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 N19-C1'-C2' 115.78 0.988 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 O4'-C1'-C2' 107.027 0.843 . . . . 7.4000000000000004 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.651 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.423 -1.061 0 O4'-C1'-N19 109.605 2.257 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.678 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.422 -1.1 0 O4'-C1'-N19 110.027 2.784 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.492 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.613 0 O3'-P-O5' 99.925 -2.145 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . 0.406 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-N19 108.725 1.157 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.538 2.173 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O4'-C1'-N19 109.536 2.17 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 109.156 1.695 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.408 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O3'-P-O5' 100.749 -1.711 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . 0.478 ' C8 ' ' H72' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O3'-P-O5' 101.315 -1.413 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . 0.478 ' H72' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C1'-N19 109.67 2.337 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 O4'-C1'-N19 109.464 2.08 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O3'-P-O5' 100.364 -1.914 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-N19 109.232 1.79 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 O4'-C1'-N19 109.179 1.724 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-N19 109.158 1.698 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O3'-P-O5' 101.645 -1.239 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 O4'-C1'-C2' 107.123 0.93 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.462 -0.199 . . . . 8.1099999999999994 110.462 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -55.93 126.03 64.69 Favored Pre-proline 0 C--O 1.232 0.181 0 O-C-N 123.341 0.401 . . . . 7.29 110.965 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.48 111.61 0.88 Allowed 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.761 2.308 . . . . 4.3700000000000001 111.355 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.764 HG13 ' HB2' ' A' ' 8' ' ' ASP . 62.1 t -73.68 144.12 12.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 122.094 0.95 . . . . 3.4500000000000002 111.394 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.521 HG22 ' OP1' ' D' ' 11' ' ' ' DT' . 0.0 OUTLIER -114.55 159.97 19.79 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 105.809 -1.923 . . . . 3.5499999999999998 105.809 177.124 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.754 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 3.1 mt -58.08 -24.36 58.27 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 119.653 -0.819 . . . . 2.8500000000000001 112.056 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -64.87 -36.76 85.4 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.867 0.841 . . . . 4.3899999999999997 110.497 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.764 ' HB2' HG13 ' A' ' 4' ' ' VAL . 1.1 m-20 -65.58 -46.04 80.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.022 -1.445 . . . . 4.1299999999999999 110.046 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.496 HG13 ' HB3' ' A' ' 41' ' ' ALA . 87.2 t -67.81 -40.88 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 115.339 -0.846 . . . . 2.9100000000000001 109.393 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.563 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.69 -46.86 86.32 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.511 -1.222 . . . . 3.1400000000000001 111.594 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -49.16 64.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.465 0.65 . . . . 5.2400000000000002 109.427 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.767 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.4 t80 -61.79 -27.59 68.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.707 -1.133 . . . . 3.8199999999999998 111.653 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.435 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.62 -27.66 27.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.631 0.729 . . . . 2.8700000000000001 109.573 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.91 34.56 8.86 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 114.85 -1.068 . . . . 3.2799999999999998 110.997 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.781 HG11 HG23 ' A' ' 34' ' ' THR . 4.3 m -139.66 147.05 24.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 114.391 -0.904 . . . . 3.3900000000000001 110.075 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 m -56.14 149.2 16.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.999 -0.68 . . . . 4.3399999999999999 110.688 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.675 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 76.3 t80 -49.68 -51.03 41.14 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.603 -1.18 . . . . 3.71 112.079 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.435 ' NE2' ' N7 ' ' C' ' 5' ' ' ' DA' . 0.0 OUTLIER -61.96 -23.67 66.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.104 -0.953 . . . . 5.5 111.903 -179.21 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.8 m -67.1 -61.6 1.85 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 120.851 0.358 . . . . 3.6499999999999999 110.063 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.563 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.05 -29.05 41.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.888 -0.596 . . . . 2.8500000000000001 111.305 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.3 t -58.77 -41.41 86.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.359 -0.608 . . . . 3.1899999999999999 109.359 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -31.19 68.83 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.754 -0.832 . . . . 4.4400000000000004 108.754 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.05 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 76.8 t -66.69 -50.66 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 114.416 -1.265 . . . . 2.9100000000000001 110.588 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.412 HG12 ' ND2' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -65.06 -18.36 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.17 -0.923 . . . . 2.7200000000000002 111.55 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' ND2' HG12 ' A' ' 24' ' ' VAL . 10.5 m-80 -104.78 -11.58 16.74 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.21 0.819 . . . . 3.6800000000000002 113.21 -178.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.42 -58.44 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.558 0.577 . . . . 6.0800000000000001 112.558 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.05 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 56.1 48.34 17.77 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.232 0.539 . . . . 4.6299999999999999 111.211 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 t -74.61 -16.95 60.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 5.0899999999999999 110.393 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -143.36 99.19 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.184 -0.673 . . . . 5.7999999999999998 109.184 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG11 ' HB1' ' A' ' 27' ' ' ALA . 7.5 p -167.28 158.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.829 -0.623 . . . . 4.2300000000000004 110.092 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 30' ' ' VAL . 9.4 m -72.61 171.37 12.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.355 0.597 . . . . 3.6600000000000001 112.01 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.13 -68.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.211 -0.904 . . . . 3.2799999999999998 111.875 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -52.3 -32.27 36.84 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.28 0.474 . . . . 4.5899999999999999 112.28 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.781 HG23 HG11 ' A' ' 15' ' ' VAL . 10.6 m -60.77 -47.27 87.09 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 121.033 -0.267 . . . . 2.8599999999999999 111.447 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.45 ' O ' HG22 ' A' ' 38' ' ' VAL . 43.4 mtm180 -64.57 -38.5 91.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.205 0.526 . . . . 4.1600000000000001 109.598 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 24.8 mt-10 -67.38 -33.22 74.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.038 -0.983 . . . . 3.5499999999999998 110.714 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -75.7 -43.87 45.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.98 -0.554 . . . . 2.8399999999999999 110.744 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.992 HG21 HG11 ' A' ' 23' ' ' VAL . 3.0 m -64.55 -46.87 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.325 -0.62 . . . . 2.2599999999999998 109.325 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.7 mt-10 -61.44 -41.13 96.73 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.004 -0.543 . . . . 3.27 109.543 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.31 -57.14 13.54 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 108.637 -0.875 . . . . 2.8599999999999999 108.637 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.767 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.21 -51.3 45.28 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 113.085 0.772 . . . . 2.8900000000000001 113.085 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.436 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.4 ptp -64.16 -32.24 73.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.743 -0.383 . . . . 2.8799999999999999 110.401 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.17 -47.15 52.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.946 0.403 . . . . 3.6000000000000001 110.804 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -66.76 -40.12 88.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.681 -0.691 . . . . 4.0899999999999999 110.117 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.6 mt -81.53 -0.77 43.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 3.71 110.708 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.51 HD21 HD13 ' A' ' 48' ' ' ILE . 3.2 t30 74.25 -48.0 0.65 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.526 0.73 . . . . 4.1799999999999997 111.08 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.754 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.4 t80 49.9 76.01 0.15 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.649 0.738 . . . . 3.1000000000000001 111.589 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.51 HD13 HD21 ' A' ' 46' ' ' ASN . 4.7 tp -85.33 135.64 38.68 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.127 -0.942 . . . . 3.7000000000000002 111.993 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -93.68 -163.94 0.11 Allowed 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 123.265 2.643 . . . . 3.6000000000000001 111.978 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -153.49 -68.49 0.15 Allowed 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.803 0.297 . . . . 5.1399999999999997 111.803 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -90.36 -71.94 0.59 Allowed 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 120.764 0.316 . . . . 9.0 110.726 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 m 178.33 -70.6 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 108.463 -0.94 . . . . 5.8700000000000001 108.463 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -179.99 -160.14 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.374 -1.285 . . . . 7.9500000000000002 108.176 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -64.76 -77.73 0.06 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.779 -0.452 . . . . 10.550000000000001 109.779 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -143.01 27.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.039 0.447 . . . . 13.16 110.281 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt 63.06 25.33 14.93 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.515 -0.766 . . . . 12.140000000000001 110.353 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.8 176.62 12.12 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.067 -0.969 . . . . 14.140000000000001 109.186 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.98 -176.58 50.93 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.769 -0.729 . . . . 16.039999999999999 112.623 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -84.04 90.65 7.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.865 0.364 . . . . 17.800000000000001 110.727 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -72.54 106.08 4.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.943 -0.571 . . . . 19.609999999999999 110.446 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -1.8 49.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.014 -0.539 . . . . 20.57 110.685 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 tp . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 21.890000000000001 110.212 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mtp . . . . . 0 N--CA 1.459 0.02 0 CA-C-O 120.978 0.418 . . . . 10.35 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.783 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 61.1 mttm -124.1 -59.84 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.959 -0.564 . . . . 8.3300000000000001 110.522 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.783 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 19.1 Cg_endo -93.59 140.6 1.62 Allowed 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.422 2.081 . . . . 4.4900000000000002 112.473 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 5' ' ' THR . 61.3 t -61.93 148.09 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 122.062 0.934 . . . . 3.1600000000000001 111.747 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.571 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.3 OUTLIER -101.9 147.56 26.39 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.017 -1.845 . . . . 3.1699999999999999 106.017 176.459 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.843 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.3 mt -58.92 -22.78 60.39 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.164 -1.014 . . . . 2.5600000000000001 110.191 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.49 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.0 OUTLIER -63.66 -37.8 88.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.978 -1.01 . . . . 4.2800000000000002 109.582 177.373 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' B' ' 5' ' ' THR . 2.3 m-20 -67.32 -42.03 84.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.839 -1.528 . . . . 3.77 109.933 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' B' ' 42' ' ' MET . 76.3 t -68.71 -44.17 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 115.318 -0.856 . . . . 2.6800000000000002 109.387 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.46 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.48 -46.83 85.85 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.334 -1.303 . . . . 3.1299999999999999 111.25 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.62 -48.8 73.53 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.484 -0.78 . . . . 5.21 109.525 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.761 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.4 t80 -61.57 -29.01 69.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.148 -0.933 . . . . 3.6200000000000001 111.244 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.45 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -83.26 -26.33 30.8 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.716 0.77 . . . . 2.9399999999999999 109.438 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.45 32.09 12.42 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 114.456 -1.247 . . . . 3.6600000000000001 111.295 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.623 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.3 m -140.09 152.47 21.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.009 -0.595 . . . . 3.5299999999999998 112.203 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -51.06 159.53 0.59 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.6 0.714 . . . . 4.3799999999999999 110.053 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.843 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 75.4 t80 -57.46 -56.63 19.32 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.379 -0.828 . . . . 3.6200000000000001 110.259 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.401 HE21 ' HB2' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -75.84 9.66 2.25 Favored 'General case' 0 CA--C 1.487 -1.479 0 CA-C-N 115.5 -0.773 . . . . 5.04 110.661 177.398 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.623 HG21 ' HB ' ' B' ' 15' ' ' VAL . 86.2 m -73.59 -57.62 3.87 Favored 'General case' 0 N--CA 1.407 -2.613 0 N-CA-C 101.561 -3.496 . . . . 3.7799999999999998 101.561 172.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.887 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.1 m -78.43 -33.17 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.631 -2.077 . . . . 2.9300000000000002 113.596 177.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -32.12 73.48 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.847 -1.158 . . . . 3.23 110.123 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.57 ' HD3' HG12 ' B' ' 30' ' ' VAL . 0.1 OUTLIER -68.0 -32.84 73.52 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.156 -1.424 . . . . 5.4000000000000004 107.156 177.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.981 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 54.5 t -66.03 -52.63 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 113.74 -1.573 . . . . 3.1800000000000002 110.083 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.86 -20.19 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.659 -1.155 . . . . 3.1200000000000001 112.175 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 2.4 m-80 -92.54 -11.25 34.98 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.612 -0.835 . . . . 4.0700000000000003 112.404 -176.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.445 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 2.1 pt20 161.99 -46.21 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.981 0.8 . . . . 6.0300000000000002 111.09 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.981 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 50.25 41.31 24.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.454 -0.793 . . . . 4.4800000000000004 112.609 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -63.31 -27.84 69.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.784 0.326 . . . . 5.6900000000000004 111.411 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -129.49 86.45 2.42 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.107 0.48 . . . . 6.5300000000000002 109.998 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.584 HG23 HH11 ' B' ' 35' ' ' ARG . 26.7 m -150.18 -179.55 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 CA-C-N 115.552 -0.749 . . . . 4.4299999999999997 110.845 -178.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' B' ' 35' ' ' ARG . 71.5 m -99.57 165.31 11.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.908 -0.587 . . . . 3.96 110.213 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.58 -60.62 2.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.889 -0.596 . . . . 3.3100000000000001 112.456 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -46.53 -49.9 17.94 Favored 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 123.642 0.588 . . . . 4.9000000000000004 111.897 -179.026 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.749 ' O ' HG13 ' B' ' 38' ' ' VAL . 7.3 m -49.77 -46.83 51.11 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.73 -0.668 . . . . 3.1299999999999999 111.864 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.584 HH11 HG23 ' B' ' 30' ' ' VAL . 67.9 mtm-85 -63.2 -35.28 79.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.874 0.369 . . . . 3.9100000000000001 110.327 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -67.06 -43.14 83.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.579 -0.737 . . . . 2.9399999999999999 110.795 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 10.1 mtmt -70.28 -43.43 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.574 -0.285 . . . . 3.1000000000000001 111.71 -179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.887 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -67.52 -47.42 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.785 -0.366 . . . . 2.3300000000000001 110.429 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.3 mm-40 -62.99 -37.82 88.68 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.239 -0.652 . . . . 3.0 109.239 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.27 -55.16 37.1 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.292 -1.003 . . . . 2.6499999999999999 108.292 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.761 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.9 -51.64 49.8 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.378 -0.828 . . . . 2.6800000000000002 113.058 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.512 ' HA ' HG22 ' B' ' 9' ' ' VAL . 18.9 ptp -64.23 -32.67 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.908 0.385 . . . . 2.7400000000000002 110.596 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.57 -45.73 61.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.184 -0.462 . . . . 3.4300000000000002 110.936 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.47 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.4 OUTLIER -66.77 -41.95 86.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.626 -0.716 . . . . 3.8100000000000001 111.147 -178.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.9 mt -79.36 -2.43 41.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 3.4700000000000002 111.289 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 12.6 t30 58.09 68.62 0.81 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 122.35 1.071 . . . . 4.3899999999999997 109.542 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.618 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 1.7 t80 -77.67 73.92 4.24 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.286 -1.325 . . . . 2.9700000000000002 110.879 -178.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.41 HG13 ' HD2' ' B' ' 49' ' ' PRO . 5.5 tp -60.57 134.11 91.6 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 114.706 -1.133 . . . . 3.9700000000000002 111.255 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.41 ' HD2' HG13 ' B' ' 48' ' ' ILE . 84.2 Cg_endo -83.85 -43.68 0.07 OUTLIER 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.577 2.184 . . . . 3.6600000000000001 114.374 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -155.33 107.83 2.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.357 0.598 . . . . 5.1100000000000003 110.595 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -118.21 14.23 13.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.59 -0.732 . . . . 8.3200000000000003 110.015 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.458 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 81.0 m -93.2 -33.03 14.16 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.847 -0.615 . . . . 6.1200000000000001 111.481 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.706 ' HB3' ' HB3' ' B' ' 56' ' ' LEU . . . 74.66 -169.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 124.093 0.871 . . . . 7.4400000000000004 110.896 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -84.01 -92.7 0.08 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.215 -0.448 . . . . 10.52 111.796 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -74.69 -19.09 60.4 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.571 -0.286 . . . . 12.48 111.613 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.706 ' HB3' ' HB3' ' B' ' 53' ' ' ALA . 37.0 tp -61.55 -26.78 68.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.121 -0.49 . . . . 11.92 111.855 -178.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.36 -25.71 65.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.404 -0.362 . . . . 12.460000000000001 111.702 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.09 -103.98 2.87 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.69 -0.767 . . . . 14.220000000000001 112.551 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.483 ' HD3' HD12 ' B' ' 56' ' ' LEU . 18.7 mtmm 72.35 82.08 0.14 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.461 0.704 . . . . 16.629999999999999 110.232 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -90.08 109.04 20.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.837 -0.62 . . . . 18.329999999999998 110.265 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 3.0 m -118.86 -21.55 7.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.156 -0.475 . . . . 19.620000000000001 111.176 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.445 -0.788 . . . . 21.170000000000002 110.537 -179.336 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.487 0 O4'-C1'-N19 108.527 0.909 . . . . 7.0199999999999996 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.426 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.136 0 O4'-C1'-N19 109.417 2.021 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.427 ' OP2' HG23 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 O4'-C1'-N19 109.246 1.807 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 O3'-P-O5' 100.54 -1.821 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . 0.435 ' N7 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-N19 109.022 1.527 . . . . 7.2699999999999996 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O4'-C1'-N19 109.467 2.083 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-N19 109.564 2.205 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.402 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-N19 109.332 1.915 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.437 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O3'-P-O5' 101.014 -1.572 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.437 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-N19 109.08 1.601 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.571 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-N19 109.922 2.653 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.07 0 O3'-P-O5' 99.516 -2.36 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.452 " C2'" ' H72' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O3'-P-O5' 99.882 -2.167 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.452 ' H72' " C2'" ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O3'-P-O5' 100.775 -1.697 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O4'-C1'-N19 109.3 1.875 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O3'-P-O5' 100.474 -1.856 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O3'-P-O5' 101.635 -1.245 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 N19-C1'-C2' 115.836 1.023 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.602 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O5'-C5'-C4' 111.496 0.926 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.435 H2'' ' OP2' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C1'-N19 109.639 2.299 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.476 H2'' ' C7 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 O4'-C1'-N19 109.917 2.646 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.476 ' C7 ' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.521 -0.711 0 O3'-P-O5' 99.83 -2.195 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . 0.435 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 O4'-C1'-N19 108.99 1.487 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-N19 109.624 2.28 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C1'-N19 109.456 2.07 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-N19 109.166 1.708 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O3'-P-O5' 100.816 -1.676 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 109.14 1.675 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . 0.521 ' OP1' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 O3'--C3' 1.419 -0.908 0 O4'-C1'-N19 109.81 2.513 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-N19 109.557 2.196 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 O3'-P-O5' 99.898 -2.159 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O3'-P-O5' 100.685 -1.745 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C1'-N19 109.247 1.809 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O3'-P-O5' 100.836 -1.665 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O3'-P-O5' 101.538 -1.296 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 N19-C1'-C2' 115.594 0.871 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.501 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 110.573 -0.158 . . . . 8.1099999999999994 110.573 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 1' ' ' MET . 3.1 mmmp? 76.68 124.84 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.643 0 C-N-CA 123.755 0.822 . . . . 7.29 111.827 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 3.6 Cg_exo -82.48 -169.86 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.381 2.721 . . . . 4.3700000000000001 113.283 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.725 HG13 ' HB2' ' A' ' 8' ' ' ASP . 93.6 t -106.55 148.09 11.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.209 -0.905 . . . . 3.4500000000000002 111.376 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p -111.91 161.96 15.83 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 106.639 -1.615 . . . . 3.5499999999999998 106.639 176.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.674 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 1.9 mt -59.6 -23.41 62.94 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 118.838 -1.145 . . . . 2.8500000000000001 110.949 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.63 -38.78 92.16 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.815 0.817 . . . . 4.3899999999999997 110.657 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.725 ' HB2' HG13 ' A' ' 4' ' ' VAL . 37.6 m-20 -65.6 -43.96 88.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.196 -1.365 . . . . 4.1299999999999999 110.612 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.435 HG13 ' HB3' ' A' ' 41' ' ' ALA . 86.8 t -68.12 -40.67 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 108.934 -0.765 . . . . 2.9100000000000001 108.934 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.27 -47.2 84.37 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.269 -1.332 . . . . 3.1400000000000001 111.347 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.5 -50.21 64.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.342 0.591 . . . . 5.2400000000000002 109.64 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.84 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.0 t80 -60.97 -27.8 68.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.96 -1.018 . . . . 3.8199999999999998 111.633 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.6 -27.54 29.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.771 0.796 . . . . 2.8700000000000001 109.591 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.89 33.59 9.68 Favored Glycine 0 N--CA 1.44 -1.067 0 CA-C-N 114.778 -1.101 . . . . 3.2799999999999998 110.893 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.682 HG11 HG23 ' A' ' 34' ' ' THR . 5.8 m -138.16 146.49 26.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 114.245 -0.977 . . . . 3.3900000000000001 109.883 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.8 m -56.2 150.49 14.16 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.612 0.72 . . . . 4.3399999999999999 110.22 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.672 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 71.6 t80 -51.56 -50.49 59.99 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.591 -1.186 . . . . 3.71 112.351 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.41 ' H ' ' HG2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -64.35 -20.54 66.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.715 -1.13 . . . . 5.5 111.475 -176.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.4 m -69.22 -61.06 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 3.6499999999999999 110.301 178.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG11 ' HA ' ' A' ' 10' ' ' ALA . 1.1 m -68.34 -28.75 41.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.066 -0.515 . . . . 2.8500000000000001 112.243 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.8 m -55.61 -44.97 77.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.01 0.433 . . . . 3.1899999999999999 110.059 177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.459 HH11 HG13 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -70.4 -28.69 65.27 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.867 -0.606 . . . . 4.4400000000000004 109.476 179.216 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.026 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 93.5 t -66.58 -51.0 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.244 -0.889 . . . . 2.9100000000000001 110.04 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.494 HG12 ' ND2' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -66.13 -20.17 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.224 -0.898 . . . . 2.7200000000000002 111.631 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.635 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 20.2 m-80 -103.88 12.51 34.32 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.812 0.671 . . . . 3.6800000000000002 112.812 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.635 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 17.2 mm-40 102.08 79.22 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.538 1.135 . . . . 6.0800000000000001 109.471 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.026 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -58.19 136.81 57.34 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 113.637 -1.62 . . . . 4.6299999999999999 112.029 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.13 121.77 9.21 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 108.01 -1.108 . . . . 5.0899999999999999 108.01 -178.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 69.31 68.95 0.26 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.111 -0.95 . . . . 5.7999999999999998 109.65 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.644 HG21 ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -156.24 166.3 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 114.532 -1.213 . . . . 4.2300000000000004 108.685 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.2 p -80.12 162.89 24.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.281 0.563 . . . . 3.6600000000000001 111.584 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.598 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.76 -51.35 27.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.237 -0.892 . . . . 3.2799999999999998 110.882 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HA ' ' OE1' ' A' ' 36' ' ' GLU . 14.3 ptmt -48.45 -41.95 30.97 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.778 0.674 . . . . 4.5899999999999999 112.078 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.773 ' O ' HG13 ' A' ' 38' ' ' VAL . 87.1 m -57.53 -48.23 79.84 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 121.158 -0.217 . . . . 2.8599999999999999 110.822 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -62.58 -34.52 77.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.098 0.475 . . . . 4.1600000000000001 110.036 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 30.4 mt-10 -66.92 -42.19 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.439 -0.8 . . . . 3.5499999999999998 111.398 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.518 ' HE3' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -77.84 -37.31 48.74 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 120.628 -0.429 . . . . 2.8399999999999999 111.775 -178.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.918 HG21 HG11 ' A' ' 23' ' ' VAL . 4.1 m -62.98 -45.0 99.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 108.494 -0.928 . . . . 2.2599999999999998 108.494 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 5.3 mt-10 -61.67 -43.24 99.23 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.518 -0.764 . . . . 3.27 109.321 178.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.591 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.84 -54.83 40.38 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.03 -0.729 . . . . 2.8599999999999999 109.03 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.84 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.88 -51.79 54.3 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 113.417 0.895 . . . . 2.8900000000000001 113.417 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.1 ptp -64.17 -32.02 73.44 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.781 -0.367 . . . . 2.8799999999999999 110.542 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.71 -44.97 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 3.6000000000000001 111.063 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 5.1 mm-40 -68.08 -43.22 79.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.808 -0.633 . . . . 4.0899999999999999 110.578 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.8 mt -80.46 0.68 32.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.45 -0.795 . . . . 3.71 110.649 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 8.1 t30 75.44 -51.62 0.65 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.759 0.662 . . . . 4.1799999999999997 110.374 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.674 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 7.1 t80 43.82 90.8 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 O-C-N 124.138 0.899 . . . . 3.1000000000000001 112.247 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.67 140.78 4.29 Favored Pre-proline 0 N--CA 1.466 0.332 0 CA-C-N 115.086 -0.961 . . . . 3.7000000000000002 112.133 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.639 ' O ' ' HA ' ' B' ' 53' ' ' ALA . 91.9 Cg_endo -79.34 37.15 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.928 2.419 . . . . 3.6000000000000001 113.115 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -83.24 59.42 4.99 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.293 -0.632 . . . . 5.1399999999999997 109.293 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -136.29 89.56 2.48 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.749 -0.66 . . . . 9.0 111.4 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 76.3 m -116.34 95.52 5.11 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.878 0.847 . . . . 5.8700000000000001 108.799 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.39 115.49 3.59 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 113.478 -1.692 . . . . 7.9500000000000002 111.588 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.619 ' HG2' HD11 ' B' ' 48' ' ' ILE . 6.0 mt-30 -99.92 -75.79 0.56 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.995 -0.548 . . . . 10.550000000000001 110.049 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -88.2 -51.18 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 13.16 110.132 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.4 tp 61.14 59.27 2.03 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.592 -0.731 . . . . 12.140000000000001 111.074 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.38 112.54 3.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 14.140000000000001 110.78 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.616 ' H ' " H5'" ' D' ' 13' ' ' ' DT' . . . -109.66 35.3 4.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.943 -0.646 . . . . 16.039999999999999 112.145 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -159.66 104.81 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.117 -0.327 . . . . 17.800000000000001 110.117 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -107.83 -31.68 7.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.752 0.31 . . . . 19.609999999999999 110.719 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.66 -0.26 26.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.386 -0.37 . . . . 20.57 111.373 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.339 -0.391 . . . . 21.890000000000001 110.009 -179.881 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.6 ttp . . . . . 0 C--O 1.23 0.04 0 CA-C-O 121.37 0.605 . . . . 10.35 109.972 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 4.0 ptmm? -144.04 132.21 10.92 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.215 -0.902 . . . . 8.3300000000000001 109.918 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.682 ' HB3' HG12 ' B' ' 48' ' ' ILE . 62.4 Cg_exo -55.37 153.83 26.42 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.643 2.229 . . . . 4.4900000000000002 111.748 178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.667 HG13 ' HB2' ' B' ' 8' ' ' ASP . 53.8 t -74.16 139.66 18.93 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.61 0 CA-C-O 122.384 1.088 . . . . 3.1600000000000001 111.924 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.691 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.1 OUTLIER -108.91 154.35 22.26 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 105.219 -2.141 . . . . 3.1699999999999999 105.219 176.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.845 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -59.47 -23.1 62.44 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 118.68 -1.208 . . . . 2.5600000000000001 110.419 -178.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -35.84 81.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.062 -0.972 . . . . 4.2800000000000002 109.858 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.667 ' HB2' HG13 ' B' ' 4' ' ' VAL . 63.9 m-20 -65.81 -44.7 84.87 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.689 -1.141 . . . . 3.77 110.265 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.479 HG22 ' HA ' ' B' ' 42' ' ' MET . 73.6 t -67.43 -41.12 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.976 0.894 . . . . 2.6800000000000002 108.934 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.492 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.13 -46.4 89.76 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.948 -1.478 . . . . 3.1299999999999999 111.266 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -49.01 71.15 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.024 -0.732 . . . . 5.21 109.024 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.829 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 36.6 t80 -61.08 -30.88 70.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.395 -0.821 . . . . 3.6200000000000001 111.504 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -81.93 -26.11 34.33 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.679 -0.859 . . . . 2.9399999999999999 108.679 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.12 32.34 12.6 Favored Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 114.124 -1.398 . . . . 3.6600000000000001 111.264 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.776 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.0 m -140.1 152.93 22.13 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 CA-C-N 115.374 -0.413 . . . . 3.5299999999999998 111.341 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.494 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.9 m -50.4 158.61 0.57 Allowed 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 122.729 1.252 . . . . 4.3799999999999999 112.273 177.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.845 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 88.6 t80 -54.51 -61.03 2.57 Favored 'General case' 0 CA--C 1.563 1.468 0 CA-C-N 115.311 -0.859 . . . . 3.6200000000000001 110.634 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.865 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 2.0 mp0 -69.9 13.1 0.16 Allowed 'General case' 0 C--O 1.17 -3.11 0 C-N-CA 125.395 1.478 . . . . 5.04 107.695 172.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.776 HG21 ' HB ' ' B' ' 15' ' ' VAL . 20.8 m -77.58 -62.85 1.53 Allowed 'General case' 0 N--CA 1.416 -2.164 1 C-N-CA 110.47 -4.492 . . . . 3.7799999999999998 106.025 168.522 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.791 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -72.98 -29.22 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.212 0 CA-C-N 111.97 -2.377 . . . . 2.9300000000000002 113.352 173.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.865 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 49.3 m -62.81 -34.79 78.03 Favored 'General case' 0 C--O 1.208 -1.119 0 C-N-CA 119.157 -1.017 . . . . 3.23 109.465 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -69.68 -30.17 67.78 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 107.522 -1.288 . . . . 5.4000000000000004 107.522 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 1.034 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 98.5 t -66.08 -52.77 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-N 114.309 -1.314 . . . . 3.1800000000000002 108.739 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 82.4 t -67.24 -20.15 26.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 114.992 -1.004 . . . . 3.1200000000000001 112.002 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.575 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 8.4 m-80 -105.92 23.44 13.96 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.844 -0.535 . . . . 4.0700000000000003 112.058 -177.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.575 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 91.0 mt-30 92.55 82.49 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.327 1.017 . . . . 6.0300000000000002 108.987 177.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 1.034 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -81.26 72.98 8.32 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 113.942 -1.481 . . . . 4.4800000000000004 112.314 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 61.4 m -85.13 9.2 15.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.454 . . . . 5.6900000000000004 110.981 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.53 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 0.0 OUTLIER -154.23 74.88 0.99 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.082 -0.508 . . . . 6.5300000000000002 110.404 179.682 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 m -151.04 175.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 123.186 0.595 . . . . 4.4299999999999997 110.32 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -94.85 172.36 8.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.326 . . . . 3.96 110.986 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -71.59 -62.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 3.3100000000000001 112.226 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' B' ' 33' ' ' LYS . 13.3 tptt -50.7 -45.98 58.62 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 116.251 -0.431 . . . . 4.9000000000000004 111.856 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.69 ' O ' HG13 ' B' ' 38' ' ' VAL . 10.4 m -51.71 -45.58 63.61 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.138 -0.483 . . . . 3.1299999999999999 111.182 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 27.4 mtm180 -62.58 -40.93 98.45 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.555 -0.535 . . . . 3.9100000000000001 109.555 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 34.4 mt-10 -67.1 -33.93 76.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.43 -0.805 . . . . 2.9399999999999999 110.489 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -70.92 -47.31 59.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.972 -0.558 . . . . 3.1000000000000001 110.285 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.791 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.7 m -68.52 -45.08 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.816 -0.439 . . . . 2.3300000000000001 109.816 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 13.6 mt-10 -60.29 -41.22 92.93 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.645 -0.502 . . . . 3.0 109.645 178.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.579 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -64.81 -51.9 59.69 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.987 -0.746 . . . . 2.6499999999999999 108.987 177.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.829 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.62 -51.66 53.88 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 112.755 0.65 . . . . 2.6800000000000002 112.755 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.479 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.7 ptp -64.66 -32.25 73.83 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.015 -0.274 . . . . 2.7400000000000002 110.36 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.2 -45.02 64.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.363 . . . . 3.4300000000000002 111.252 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 19.4 mm-40 -67.32 -44.51 78.95 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.952 -0.567 . . . . 3.8100000000000001 110.73 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.1 mt -80.87 0.24 35.99 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.567 -0.742 . . . . 3.4700000000000002 110.621 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.482 HD22 ' C ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER 73.78 -47.54 0.65 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.893 0.746 . . . . 4.3899999999999997 110.22 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.791 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 1.8 t80 56.54 95.46 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.627 0.727 . . . . 2.9700000000000002 111.312 179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.713 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 2.5 pp -68.2 164.61 41.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.307 -0.86 . . . . 3.9700000000000002 111.441 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.713 ' HD2' ' HB ' ' B' ' 48' ' ' ILE . 14.3 Cg_endo -57.05 119.78 7.27 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.13 2.553 . . . . 3.6600000000000001 112.993 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -85.52 81.49 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.569 -0.741 . . . . 5.1100000000000003 109.489 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 82.96 89.13 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.297 -1.32 . . . . 8.3200000000000003 109.984 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.449 ' HB2' ' H ' ' B' ' 53' ' ' ALA . 0.5 OUTLIER -100.65 -123.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.576 -0.738 . . . . 6.1200000000000001 111.649 -178.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.639 ' HA ' ' O ' ' A' ' 49' ' ' PRO . . . -161.76 -87.41 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.209 -0.45 . . . . 7.4400000000000004 111.133 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -159.57 1.48 0.08 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.778 0.323 . . . . 10.52 111.359 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.9 -57.07 2.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.945 -0.391 . . . . 12.48 109.945 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mp 65.39 105.6 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 124.115 0.884 . . . . 11.92 112.194 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.5 98.36 8.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.878 -0.601 . . . . 12.460000000000001 110.293 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.31 83.47 1.61 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.881 -0.675 . . . . 14.220000000000001 112.961 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 63.88 7.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.013 0.435 . . . . 16.629999999999999 110.323 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -69.44 -16.11 63.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.798 -0.637 . . . . 18.329999999999998 111.265 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.75 96.77 2.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.143 -0.48 . . . . 19.620000000000001 110.79 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.152 -0.927 . . . . 21.170000000000002 110.008 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.505 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.59 0 O4'-C1'-C2' 107.015 0.832 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-N19 109.391 1.989 . . . . 6.3700000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.05 0 O4'-C1'-N19 109.301 1.876 . . . . 5.9000000000000004 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O3'-P-O5' 100.568 -1.807 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-N19 108.846 1.308 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C1'-N19 109.526 2.158 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-N19 109.326 1.907 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.042 0 O4'-C1'-N19 109.348 1.935 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.449 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O3'-P-O5' 100.907 -1.628 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.449 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-N19 108.974 1.468 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.691 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O3'--C3' 1.421 -0.768 0 O4'-C1'-N19 109.652 2.315 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O3'-P-O5' 99.474 -2.382 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.63 ' H71' ' HG2' ' B' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.423 -1.036 0 O3'-P-O5' 100.042 -2.083 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.413 ' H72' ' C6 ' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O3'-P-O5' 100.441 -1.873 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C1'-N19 109.307 1.884 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O3'-P-O5' 100.52 -1.832 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O3'-P-O5' 101.448 -1.343 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 N19-C1'-C2' 116.083 1.177 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.427 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.585 0 O4'-C1'-N19 108.569 0.961 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.53 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C1'-N19 109.433 2.041 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.472 H2'' ' C7 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O4'-C1'-N19 110.108 2.885 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.472 ' C7 ' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.522 -0.6 0 O3'-P-O5' 99.395 -2.424 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . 0.416 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-N19 108.832 1.29 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C1'-N19 109.481 2.101 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 109.48 2.101 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C1'-N19 109.284 1.855 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.401 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O3'-P-O5' 100.497 -1.844 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . 0.401 ' C8 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.022 1.528 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 109.848 2.56 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-N19 109.394 1.993 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . 0.616 " H5'" ' H ' ' A' ' 58' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O3'-P-O5' 100.212 -1.994 . . . . 5.6500000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O3'-P-O5' 100.597 -1.791 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.098 0 O4'-C1'-N19 109.168 1.71 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 109.259 1.823 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O3'-P-O5' 101.618 -1.253 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 N19-C1'-C2' 115.485 0.803 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 tpt . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 120.521 0.201 . . . . 8.1099999999999994 111.215 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 98.0 mttt -75.39 124.11 88.93 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.704 0.288 . . . . 7.29 111.281 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 94.8 Cg_endo -94.81 -102.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.463 2.775 . . . . 4.3700000000000001 114.213 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.619 HG13 ' HB2' ' A' ' 8' ' ' ASP . 47.1 t -136.24 151.39 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 121.612 0.72 . . . . 3.4500000000000002 111.656 -177.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.2 p -121.06 162.0 20.74 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 106.276 -1.75 . . . . 3.5499999999999998 106.276 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.808 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.9 mt -59.2 -24.08 62.81 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 119.648 -0.821 . . . . 2.8500000000000001 111.154 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -65.0 -36.9 85.9 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.864 0.84 . . . . 4.3899999999999997 110.292 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.619 ' HB2' HG13 ' A' ' 4' ' ' VAL . 26.9 m-20 -65.7 -44.93 84.65 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 114.18 -1.373 . . . . 4.1299999999999999 109.853 -178.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' A' ' 41' ' ' ALA . 92.7 t -68.78 -42.09 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.534 -0.757 . . . . 2.9100000000000001 109.39 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.657 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.54 -47.46 81.96 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.566 -1.197 . . . . 3.1400000000000001 111.592 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -68.91 -48.6 62.9 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.586 -0.524 . . . . 5.2400000000000002 109.586 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.809 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 54.3 t80 -60.07 -27.21 66.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.473 -0.785 . . . . 3.8199999999999998 111.509 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.94 -28.0 24.56 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.698 0.761 . . . . 2.8700000000000001 109.724 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.44 34.21 8.77 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 114.831 -1.077 . . . . 3.2799999999999998 111.163 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.805 HG11 HG23 ' A' ' 34' ' ' THR . 3.3 m -138.17 147.76 25.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 114.42 -0.89 . . . . 3.3900000000000001 110.389 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -55.43 147.27 17.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.288 0.566 . . . . 4.3399999999999999 110.595 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.61 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 60.7 t80 -50.47 -51.95 42.56 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.832 -1.076 . . . . 3.71 112.299 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' NE2' ' N7 ' ' C' ' 5' ' ' ' DA' . 0.0 OUTLIER -59.67 -29.06 67.8 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.985 -1.007 . . . . 5.5 111.758 -179.566 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.2 m -64.54 -61.32 2.28 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.557 -0.292 . . . . 3.6499999999999999 110.683 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.657 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -68.69 -30.19 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.36 -0.382 . . . . 2.8500000000000001 111.728 -178.778 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.424 ' HA ' HD13 ' A' ' 6' ' ' LEU . 40.2 t -57.96 -47.11 83.88 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.264 -0.643 . . . . 3.1899999999999999 109.264 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -70.08 -27.93 65.01 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.295 -0.866 . . . . 4.4400000000000004 109.642 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.943 HG11 HG21 ' A' ' 38' ' ' VAL . 40.6 t -64.7 -47.88 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.396 -0.82 . . . . 2.9100000000000001 109.236 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.34 -21.46 29.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.66 -0.7 . . . . 2.7200000000000002 110.915 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 3.3 m-80 -85.23 -10.72 56.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 3.6800000000000002 111.825 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.497 ' HB3' ' O ' ' A' ' 25' ' ' ASN . 3.4 pt20 121.92 -21.0 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 126.097 1.759 . . . . 6.0800000000000001 110.228 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 62.03 -145.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.655 -0.702 . . . . 4.6299999999999999 110.79 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -157.98 -46.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.693 0.759 . . . . 5.0899999999999999 108.993 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.641 ' HB3' ' OP2' ' C' ' 2' ' ' ' DG' . 10.3 m-70 -132.05 -109.25 0.25 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.002 -0.999 . . . . 5.7999999999999998 108.857 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.583 HG13 ' OP2' ' C' ' 3' ' ' ' DA' . 57.0 t 71.7 154.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 121.159 0.504 . . . . 4.2300000000000004 111.122 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.84 161.69 14.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.969 0.414 . . . . 3.6600000000000001 110.773 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -56.71 -49.99 73.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.598 -0.728 . . . . 3.2799999999999998 112.59 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.598 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 1.4 pttm -51.16 -41.53 60.22 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.177 0.806 . . . . 4.5899999999999999 113.177 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.805 HG23 HG11 ' A' ' 15' ' ' VAL . 17.9 m -71.74 -40.82 69.13 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.026 -0.67 . . . . 2.8599999999999999 111.206 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.488 ' O ' HG22 ' A' ' 38' ' ' VAL . 10.9 mtp180 -66.95 -40.27 87.47 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.794 -0.362 . . . . 4.1600000000000001 110.781 -178.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 5.3 pt-20 -68.2 -31.77 71.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.201 -0.454 . . . . 3.5499999999999998 109.859 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.598 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 4.2 mtpp -72.85 -44.35 61.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.038 -0.528 . . . . 2.8399999999999999 110.555 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.943 HG21 HG11 ' A' ' 23' ' ' VAL . 3.0 m -65.2 -44.53 95.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 108.651 -0.87 . . . . 2.2599999999999998 108.651 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 13.6 mt-10 -59.61 -45.22 92.59 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.369 -0.832 . . . . 3.27 109.42 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.657 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.83 -55.05 37.68 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.175 -0.676 . . . . 2.8599999999999999 109.175 178.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.809 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.16 -52.19 46.45 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 113.371 0.878 . . . . 2.8900000000000001 113.371 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.404 ' HE3' ' O ' ' A' ' 38' ' ' VAL . 15.9 ptp -65.48 -32.18 73.65 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.724 -0.39 . . . . 2.8799999999999999 110.302 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.93 -43.3 68.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.917 0.389 . . . . 3.6000000000000001 111.097 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 10.9 mm-40 -68.53 -44.56 74.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.875 -0.602 . . . . 4.0899999999999999 110.605 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.1 mt -80.77 0.66 33.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.476 -0.784 . . . . 3.71 110.908 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 3.4 t-20 73.88 -52.74 0.69 Allowed 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.791 0.682 . . . . 4.1799999999999997 110.096 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.808 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.3 t80 56.07 92.99 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.834 0.826 . . . . 3.1000000000000001 112.721 178.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.07 128.3 24.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.056 -0.975 . . . . 3.7000000000000002 109.191 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -82.01 159.94 18.25 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.957 2.438 . . . . 3.6000000000000001 113.502 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -163.53 -91.44 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.105 -0.498 . . . . 5.1399999999999997 110.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.462 HH11 " H5'" ' C' ' 12' ' ' ' DC' . 1.9 ttt-85 58.95 63.88 1.54 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.241 0.616 . . . . 9.0 112.59 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.9 p -122.32 -122.92 0.27 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.071 -0.344 . . . . 5.8700000000000001 110.071 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -166.2 -175.8 3.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.541 0.21 . . . . 7.9500000000000002 110.894 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -113.97 -168.14 1.31 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.692 0.282 . . . . 10.550000000000001 110.678 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.24 43.05 0.51 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.43 -0.35 . . . . 13.16 111.672 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' B' ' 28' ' ' SER . 15.2 mt 53.91 -116.25 1.04 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.724 -0.671 . . . . 12.140000000000001 111.731 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.14 178.58 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.556 -0.293 . . . . 14.140000000000001 110.623 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.39 -147.0 19.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.88 -0.676 . . . . 16.039999999999999 111.768 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.98 28.98 12.47 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 122.702 0.401 . . . . 17.800000000000001 111.262 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.6 -87.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.662 -0.699 . . . . 19.609999999999999 111.338 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.8 m -89.5 80.05 6.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.092 0.472 . . . . 20.57 110.901 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.6 tp . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.498 . . . . 21.890000000000001 110.556 179.51 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.3 mmm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.719 0.295 . . . . 10.35 110.767 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -87.35 117.66 68.87 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.354 -0.385 . . . . 8.3300000000000001 110.015 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.35 150.73 81.12 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.974 2.449 . . . . 4.4900000000000002 113.208 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.718 HG13 ' HB2' ' B' ' 8' ' ' ASP . 96.8 t -64.1 141.55 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.331 -0.85 . . . . 3.1600000000000001 111.584 179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 24.3 p -102.51 156.98 17.25 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 105.844 -1.91 . . . . 3.1699999999999999 105.844 175.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 1.056 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.0 OUTLIER -61.25 -20.23 62.59 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 118.588 -1.245 . . . . 2.5600000000000001 109.487 178.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.6 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.1 -38.85 92.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.696 -1.138 . . . . 4.2800000000000002 110.014 176.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.718 ' HB2' HG13 ' B' ' 4' ' ' VAL . 24.9 m-20 -63.66 -43.2 97.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.998 -1.455 . . . . 3.77 109.584 -178.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' B' ' 42' ' ' MET . 82.8 t -68.43 -40.53 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 N-CA-C 108.753 -0.832 . . . . 2.6800000000000002 108.753 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.639 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -59.77 -47.37 85.98 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.155 -1.384 . . . . 3.1299999999999999 111.179 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -64.19 -50.37 68.35 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.338 -0.847 . . . . 5.21 109.552 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.841 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 41.7 t80 -60.14 -28.42 67.88 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.678 -1.146 . . . . 3.6200000000000001 111.359 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.42 -25.99 26.65 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.84 0.828 . . . . 2.9399999999999999 109.239 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.3 33.99 10.01 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 114.29 -1.323 . . . . 3.6600000000000001 111.135 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.676 ' HB ' HG21 ' B' ' 19' ' ' THR . 11.5 m -142.24 151.29 18.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.126 -0.537 . . . . 3.5299999999999998 112.405 -176.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.5 m -50.36 163.3 0.17 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.963 0.887 . . . . 4.3799999999999999 110.152 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.798 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 56.8 t80 -56.68 -57.12 13.78 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 114.676 -1.147 . . . . 3.6200000000000001 110.937 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.642 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 1.2 tp60 -77.6 16.57 0.64 Allowed 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 125.081 1.488 . . . . 5.04 113.916 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.676 HG21 ' HB ' ' B' ' 15' ' ' VAL . 63.4 m -82.02 -58.25 3.05 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 102.565 -3.124 . . . . 3.7799999999999998 102.565 171.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.83 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -77.36 -39.87 28.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 CA-C-N 110.1 -3.227 . . . . 2.9300000000000002 112.052 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.642 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 46.6 m -61.57 -31.91 71.97 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.015 -1.053 . . . . 3.23 110.046 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.87 -30.25 66.59 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 108.13 -1.063 . . . . 5.4000000000000004 108.13 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 1.054 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 87.7 t -66.05 -51.06 64.58 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 114.836 -1.075 . . . . 3.1800000000000002 108.339 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.87 -19.77 26.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 114.669 -1.15 . . . . 3.1200000000000001 111.727 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.649 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 16.3 m-80 -108.41 22.56 15.77 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.597 -0.441 . . . . 4.0700000000000003 111.483 -177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.649 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 0.2 OUTLIER 90.07 84.96 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 122.452 1.12 . . . . 6.0300000000000002 109.963 178.551 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 1.054 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -81.92 77.06 8.79 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 113.649 -1.614 . . . . 4.4800000000000004 112.468 -177.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.489 ' HB2' HD12 ' A' ' 56' ' ' LEU . 5.0 m -86.85 2.93 47.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.483 . . . . 5.6900000000000004 110.34 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.64 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 52.2 m-70 -142.48 79.36 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.535 . . . . 6.5300000000000002 109.734 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.544 ' HA ' " H3'" ' D' ' 2' ' ' ' DG' . 4.5 m -160.35 179.8 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 122.649 0.38 . . . . 4.4299999999999997 110.611 -178.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.502 ' O ' ' HD3' ' B' ' 35' ' ' ARG . 1.5 p -101.55 168.75 9.29 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.95 -0.568 . . . . 3.96 109.524 176.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -70.72 -54.65 10.98 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.15 0.426 . . . . 3.3100000000000001 112.15 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -49.79 -49.83 47.12 Favored 'General case' 0 CA--C 1.508 -0.649 0 O-C-N 123.433 0.458 . . . . 4.9000000000000004 112.109 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.761 ' O ' HG13 ' B' ' 38' ' ' VAL . 26.6 m -49.72 -47.9 50.31 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.485 -0.78 . . . . 3.1299999999999999 111.466 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.528 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 8.4 mtp180 -61.02 -38.43 86.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.632 0.253 . . . . 3.9100000000000001 110.572 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 19.9 mt-10 -66.43 -39.02 88.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.32 0.581 . . . . 2.9399999999999999 110.384 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -70.93 -44.91 65.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.379 -0.828 . . . . 3.1000000000000001 111.243 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.83 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -68.2 -43.88 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.398 -0.365 . . . . 2.3300000000000001 110.081 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -60.03 -41.15 91.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.909 -0.775 . . . . 3.0 108.909 177.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.624 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.43 -53.52 53.7 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.918 -0.771 . . . . 2.6499999999999999 108.918 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.841 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.46 -51.86 51.35 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 113.494 0.924 . . . . 2.6800000000000002 113.494 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.458 ' HA ' HG22 ' B' ' 9' ' ' VAL . 17.3 ptp -65.22 -32.28 73.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.74 0.305 . . . . 2.7400000000000002 110.645 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.95 -42.43 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 3.4300000000000002 111.218 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.1 mm-40 -68.97 -44.46 72.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.286 0.565 . . . . 3.8100000000000001 110.558 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.9 mt -80.7 1.96 27.99 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.319 -0.855 . . . . 3.4700000000000002 111.173 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.5 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 4.0 t30 74.92 -52.47 0.67 Allowed 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.629 0.581 . . . . 4.3899999999999997 110.072 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 1.056 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 14.3 t80 41.33 93.24 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.392 1.077 . . . . 2.9700000000000002 113.838 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.578 HD12 ' HD2' ' B' ' 49' ' ' PRO . 10.3 tp -65.15 113.93 13.19 Favored Pre-proline 0 N--CA 1.445 -0.693 0 CA-C-O 121.42 0.628 . . . . 3.9700000000000002 110.098 178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.578 ' HD2' HD12 ' B' ' 48' ' ' ILE . 91.0 Cg_endo -81.51 56.03 5.8 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.76 2.307 . . . . 3.6600000000000001 113.353 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -79.52 61.51 3.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.082 0.467 . . . . 5.1100000000000003 110.824 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.51 HH12 H5'' ' C' ' 11' ' ' ' DT' . 51.7 mtt-85 -144.42 -74.56 0.25 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.311 -0.625 . . . . 8.3200000000000003 109.311 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.6 m -155.55 -36.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.246 -0.888 . . . . 6.1200000000000001 109.229 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.773 ' HB3' ' HB2' ' B' ' 56' ' ' LEU . . . 68.57 -178.45 0.22 Allowed 'General case' 0 N--CA 1.458 -0.061 0 CA-C-N 115.381 -0.827 . . . . 7.4400000000000004 112.564 177.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.405 ' HB2' ' OE1' ' B' ' 55' ' ' GLN . 7.7 mt-30 -99.04 -70.33 0.73 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.322 -0.854 . . . . 10.52 111.124 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.405 ' OE1' ' HB2' ' B' ' 54' ' ' GLN . 0.9 OUTLIER -64.66 -21.29 66.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.626 -1.17 . . . . 12.48 112.041 -178.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.773 ' HB2' ' HB3' ' B' ' 53' ' ' ALA . 7.9 mp -72.12 -30.37 64.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.329 . . . . 11.92 110.476 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.42 -23.71 29.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.135 -0.484 . . . . 12.460000000000001 110.173 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.71 19.34 68.36 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.654 -0.703 . . . . 14.220000000000001 112.244 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -113.28 -64.63 1.28 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.654 0.264 . . . . 16.629999999999999 110.718 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.449 ' HB2' ' HG3' ' B' ' 26' ' ' GLN . 62.4 tp60 -79.32 111.73 15.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.907 0.384 . . . . 18.329999999999998 110.527 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 63.6 m -156.67 41.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.198 -0.455 . . . . 19.620000000000001 110.359 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 44.3 mt . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.622 -0.704 . . . . 21.170000000000002 110.106 -179.766 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.722 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O4'-C1'-N19 108.597 0.997 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.641 ' OP2' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.422 -1.107 0 O4'-C1'-N19 109.367 1.959 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.583 ' OP2' HG13 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.005 0 O4'-C1'-N19 109.339 1.924 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 O3'-P-O5' 100.028 -2.091 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . 0.415 ' N7 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-N19 108.906 1.382 . . . . 7.2699999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-N19 109.558 2.198 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C1'-N19 109.646 2.307 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.062 0 O4'-C1'-N19 109.3 1.875 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.448 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O3'-P-O5' 100.681 -1.747 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.477 ' C8 ' ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-N19 108.726 1.157 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.51 H5'' HH12 ' B' ' 51' ' ' ARG . . . . . . . . 0 O4'--C4' 1.454 0.769 0 O4'-C1'-N19 109.939 2.674 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.462 " H5'" HH11 ' A' ' 51' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.991 0 O4'-C1'-N19 109.763 2.454 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.541 ' H71' ' HG2' ' B' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O3'-P-O5' 100.095 -2.055 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.177 0 O4'-C1'-N19 109.245 1.807 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C1'-N19 109.215 1.769 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O3'-P-O5' 100.524 -1.83 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O3'-P-O5' 101.577 -1.275 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-C2' 107.059 0.872 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.422 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 O4'-C1'-N19 108.703 1.129 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.64 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 O4'-C1'-N19 109.209 1.761 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.503 H2'' ' OP2' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C1'-N19 110.069 2.836 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.503 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.523 -0.453 0 O3'-P-O5' 99.925 -2.145 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . 0.42 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-N19 108.884 1.355 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-N19 109.624 2.28 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O4'-C1'-N19 109.478 2.097 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-N19 109.326 1.908 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.031 0 O3'-P-O5' 100.636 -1.771 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . 0.447 ' C8 ' ' H72' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O3'-P-O5' 101.184 -1.482 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . 0.447 ' H72' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 109.875 2.594 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-N19 109.446 2.058 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O3'-P-O5' 99.84 -2.189 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.076 0 O4'-C1'-N19 109.22 1.775 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 109.242 1.803 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-N19 109.134 1.668 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O3'-P-O5' 101.549 -1.29 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 107.075 0.887 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.742 0.306 . . . . 8.1099999999999994 110.551 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.439 ' HG3' ' HD2' ' A' ' 3' ' ' PRO . 20.8 tptt -108.53 138.62 20.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.482 -0.562 . . . . 7.29 109.482 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.439 ' HD2' ' HG3' ' A' ' 2' ' ' LYS . 26.9 Cg_endo -63.01 -89.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.831 2.354 . . . . 4.3700000000000001 113.658 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.677 HG13 ' HB2' ' A' ' 8' ' ' ASP . 24.0 t -144.44 146.61 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 CA-C-O 121.942 0.877 . . . . 3.4500000000000002 111.945 -178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.5 p -123.23 165.42 16.95 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 105.989 -1.856 . . . . 3.5499999999999998 105.989 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.851 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 1.9 mt -59.96 -23.84 63.92 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.699 -0.8 . . . . 2.8500000000000001 111.162 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -65.23 -38.04 89.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.605 -0.725 . . . . 4.3899999999999997 110.316 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.677 ' HB2' HG13 ' A' ' 4' ' ' VAL . 27.8 m-20 -65.69 -44.77 85.18 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 114.502 -1.226 . . . . 4.1299999999999999 110.007 -178.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 41' ' ' ALA . 94.3 t -68.42 -40.72 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 0 N-CA-C 108.988 -0.745 . . . . 2.9100000000000001 108.988 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.35 -47.02 85.14 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.639 -1.164 . . . . 3.1400000000000001 111.35 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -69.26 -49.48 55.76 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.612 -0.514 . . . . 5.2400000000000002 109.612 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.834 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.5 t80 -60.07 -27.3 66.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.496 -0.775 . . . . 3.8199999999999998 111.547 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.79 -28.24 24.65 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.528 0.68 . . . . 2.8700000000000001 109.643 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 36.06 8.39 Favored Glycine 0 N--CA 1.439 -1.112 0 CA-C-N 114.915 -1.038 . . . . 3.2799999999999998 111.049 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.915 HG11 HG23 ' A' ' 34' ' ' THR . 5.6 m -139.29 147.39 24.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 114.401 -0.9 . . . . 3.3900000000000001 110.361 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 m -55.86 148.98 15.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.494 0.664 . . . . 4.3399999999999999 110.211 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.653 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.8 t80 -52.62 -51.91 57.85 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.972 -1.013 . . . . 3.71 112.318 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.595 ' HG2' ' H62' ' C' ' 6' ' ' ' DA' . 19.9 mp0 -61.79 -23.12 66.0 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.189 -0.914 . . . . 5.5 111.248 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.1 m -67.75 -60.87 2.19 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.317 -0.401 . . . . 3.6499999999999999 109.946 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.589 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -68.4 -29.09 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.266 -0.424 . . . . 2.8500000000000001 111.378 -179.391 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 t -56.09 -44.41 78.99 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.532 -0.544 . . . . 3.1899999999999999 109.532 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -30.31 66.97 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 109.349 -0.611 . . . . 4.4400000000000004 109.349 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.063 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 71.6 t -65.56 -47.16 87.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.305 -0.861 . . . . 2.9100000000000001 110.615 -177.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.52 -20.86 27.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.009 -0.996 . . . . 2.7200000000000002 112.531 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.97 -14.1 7.2 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.776 1.769 . . . . 3.6800000000000002 115.776 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 175.23 73.36 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.468 0.576 . . . . 6.0800000000000001 110.964 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.063 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -88.95 63.85 6.92 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.082 0.468 . . . . 4.6299999999999999 111.549 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -14.19 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.41 0.624 . . . . 5.0899999999999999 110.614 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -134.15 86.47 2.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.808 -0.633 . . . . 5.7999999999999998 109.594 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.512 HG11 ' HB1' ' A' ' 27' ' ' ALA . 9.2 p -164.98 163.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.032 -0.531 . . . . 4.2300000000000004 109.967 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 30' ' ' VAL . 5.6 p -90.59 172.96 8.32 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.976 -0.556 . . . . 3.6600000000000001 110.953 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.02 -54.88 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.773 -0.649 . . . . 3.2799999999999998 111.153 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.611 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 28.1 tptt -51.71 -49.07 63.21 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 112.268 0.47 . . . . 4.5899999999999999 112.268 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.915 HG23 HG11 ' A' ' 15' ' ' VAL . 64.8 m -58.96 -42.48 90.0 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 111.718 0.266 . . . . 2.8599999999999999 111.718 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.538 ' O ' HG22 ' A' ' 38' ' ' VAL . 6.2 ttm180 -65.24 -45.73 83.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.795 0.331 . . . . 4.1600000000000001 111.054 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -68.46 -28.82 67.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.082 -0.508 . . . . 3.5499999999999998 110.124 -179.777 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.607 ' HD3' ' HG3' ' A' ' 33' ' ' LYS . 2.3 mtpp -69.93 -46.32 65.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.07 -0.514 . . . . 2.8399999999999999 109.815 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.845 HG21 HG11 ' A' ' 23' ' ' VAL . 2.4 m -65.71 -43.99 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.986 -0.746 . . . . 2.2599999999999998 108.986 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.7 mt-10 -59.96 -43.67 94.9 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.17 -0.923 . . . . 3.27 109.968 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -63.08 -52.52 62.35 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.153 -0.684 . . . . 2.8599999999999999 109.153 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.834 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -52.81 -51.92 58.93 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.27 0.841 . . . . 2.8900000000000001 113.27 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.5 ptp -64.6 -31.61 72.91 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.028 -0.269 . . . . 2.8799999999999999 110.395 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.71 -43.75 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 3.6000000000000001 111.088 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 37.2 mm-40 -68.9 -44.86 72.31 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.829 -0.623 . . . . 4.0899999999999999 111.223 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.8 mt -80.59 -0.15 36.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.513 -0.767 . . . . 3.71 110.474 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.8 t30 72.59 -45.62 0.63 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.701 0.8 . . . . 4.1799999999999997 110.331 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.851 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.2 t80 54.87 85.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.796 0.839 . . . . 3.1000000000000001 112.604 177.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 48' ' ' ILE . 3.2 tp -104.98 134.45 19.63 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.162 -0.926 . . . . 3.7000000000000002 109.211 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD2' HG13 ' A' ' 48' ' ' ILE . 56.0 Cg_endo -71.17 69.94 2.41 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.801 2.334 . . . . 3.6000000000000001 113.719 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -91.41 66.72 5.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.373 0.606 . . . . 5.1399999999999997 109.942 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.5 12.65 20.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.94 -0.573 . . . . 9.0 110.164 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 70.2 m -131.76 99.8 4.89 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 115.566 -0.743 . . . . 5.8700000000000001 109.906 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 67.84 -127.76 0.15 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.179 -1.373 . . . . 7.9500000000000002 111.842 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -153.71 -73.05 0.13 Allowed 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 120.927 0.394 . . . . 10.550000000000001 110.284 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -84.48 63.51 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.546 . . . . 13.16 111.129 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.12 97.3 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.782 -0.645 . . . . 12.140000000000001 110.597 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.62 89.1 1.53 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.953 -0.567 . . . . 14.140000000000001 110.688 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -142.91 35.12 1.73 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.414 -0.675 . . . . 16.039999999999999 111.414 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -71.55 -42.21 68.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.857 0.36 . . . . 17.800000000000001 110.849 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -76.96 -8.32 57.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.096 -0.502 . . . . 19.609999999999999 111.269 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t 71.3 -48.86 0.68 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.512 0.725 . . . . 20.57 112.274 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 120.778 0.323 . . . . 21.890000000000001 111.028 -179.839 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.983 0.421 . . . . 10.35 110.582 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -104.44 110.87 64.91 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.858 -0.61 . . . . 8.3300000000000001 110.993 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.24 -178.61 4.61 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.695 2.263 . . . . 4.4900000000000002 110.276 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.766 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 75.9 t -77.21 138.46 20.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 122.089 0.947 . . . . 3.1600000000000001 110.784 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.5 p -103.96 158.32 16.49 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 105.814 -1.921 . . . . 3.1699999999999999 105.814 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.768 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.5 mt -60.91 -22.14 64.06 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 118.861 -1.136 . . . . 2.5600000000000001 109.403 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.452 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -62.8 -39.8 95.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.738 -1.119 . . . . 4.2800000000000002 109.279 177.583 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.698 ' HB2' HG13 ' B' ' 4' ' ' VAL . 19.3 m-20 -64.25 -44.33 92.14 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 114.379 -1.282 . . . . 3.77 109.137 -178.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' B' ' 42' ' ' MET . 75.3 t -67.99 -43.34 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.061 -0.972 . . . . 2.6800000000000002 108.932 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.467 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.75 -46.35 84.61 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.295 -1.321 . . . . 3.1299999999999999 111.541 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -49.87 70.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.365 0.602 . . . . 5.21 109.407 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.788 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.0 t80 -61.16 -29.54 69.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.812 -1.086 . . . . 3.6200000000000001 111.444 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.85 -26.97 31.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.149 -0.686 . . . . 2.9399999999999999 109.149 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.22 31.74 16.04 Favored Glycine 0 CA--C 1.498 -0.979 0 CA-C-N 114.75 -1.114 . . . . 3.6600000000000001 111.099 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.636 ' HB ' HG21 ' B' ' 19' ' ' THR . 6.0 m -141.49 148.46 21.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.306 -0.947 . . . . 3.5299999999999998 111.007 -177.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.553 ' HB2' ' OG1' ' B' ' 19' ' ' THR . 4.8 m -47.89 155.06 0.46 Allowed 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.141 0.496 . . . . 4.3799999999999999 111.066 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.71 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.7 t80 -52.87 -60.97 2.61 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.862 -1.063 . . . . 3.6200000000000001 110.136 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 1.023 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -71.3 3.52 3.6 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 123.8 0.687 . . . . 5.04 111.232 177.76 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.673 ' O ' HG23 ' B' ' 23' ' ' VAL . 52.5 m -71.13 -56.11 6.78 Favored 'General case' 0 N--CA 1.423 -1.779 0 N-CA-C 103.41 -2.811 . . . . 3.7799999999999998 103.41 174.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.782 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 1.4 m -80.21 -32.9 13.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 112.163 -2.289 . . . . 2.9300000000000002 112.858 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 1.023 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 41.3 t -62.92 -35.78 81.2 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 120.937 0.399 . . . . 3.23 110.183 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.5 OUTLIER -67.72 -30.52 70.03 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 106.815 -1.55 . . . . 5.4000000000000004 106.815 178.023 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.997 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 98.6 t -66.19 -51.65 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 114.188 -1.369 . . . . 3.1800000000000002 109.332 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -66.5 -20.5 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 114.541 -1.209 . . . . 3.1200000000000001 112.312 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 2.4 m-80 -93.85 -10.54 33.66 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.753 -0.779 . . . . 4.0700000000000003 112.46 -177.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.557 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 3.8 pt20 161.28 -41.48 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.896 0.748 . . . . 6.0300000000000002 111.398 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.997 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 49.78 58.59 5.28 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.413 0.685 . . . . 4.4800000000000004 111.402 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -15.13 59.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.851 -0.613 . . . . 5.6900000000000004 111.256 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.476 ' HB3' ' OP2' ' D' ' 2' ' ' ' DG' . 69.6 m-70 -128.65 -130.61 0.22 Allowed 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 108.505 -0.924 . . . . 6.5300000000000002 108.505 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.445 HG12 ' N ' ' B' ' 31' ' ' SER . 38.6 t 71.2 157.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 N-CA-C 112.406 0.521 . . . . 4.4299999999999997 112.406 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.445 ' N ' HG12 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -93.5 -175.26 3.73 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.079 -0.51 . . . . 3.96 111.217 179.276 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.14 -67.52 0.51 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.665 0.987 . . . . 3.3100000000000001 113.665 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -45.58 -45.32 13.59 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.78 1.03 . . . . 4.9000000000000004 113.78 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.795 ' O ' HG13 ' B' ' 38' ' ' VAL . 8.4 m -59.57 -47.57 85.05 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 112.147 0.425 . . . . 3.1299999999999999 112.147 -178.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.546 ' O ' HG22 ' B' ' 38' ' ' VAL . 6.4 ttm-85 -58.51 -49.08 78.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.853 0.359 . . . . 3.9100000000000001 111.195 -177.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' B' ' 36' ' ' GLU . 7.4 pt-20 -67.8 -29.56 68.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.041 -0.527 . . . . 2.9399999999999999 110.865 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -72.22 -43.14 64.87 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.252 -0.277 . . . . 3.1000000000000001 110.252 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.795 HG13 ' O ' ' B' ' 34' ' ' THR . 2.6 m -68.67 -43.5 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.022 -0.733 . . . . 2.3300000000000001 109.022 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.76 -41.09 90.27 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.448 -0.797 . . . . 3.0 109.027 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.646 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.78 -53.28 56.74 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.053 -0.721 . . . . 2.6499999999999999 109.053 177.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.788 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.28 -51.26 55.79 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 113.048 0.758 . . . . 2.6800000000000002 113.048 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.467 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.8 ptp -64.82 -32.32 73.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.246 -0.279 . . . . 2.7400000000000002 110.246 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.34 -43.66 66.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.416 -0.356 . . . . 3.4300000000000002 111.316 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 3.9 mm-40 -69.26 -45.66 69.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.905 -0.589 . . . . 3.8100000000000001 111.173 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.5 mt -80.94 -0.91 41.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.749 -0.659 . . . . 3.4700000000000002 110.892 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 1.074 HD21 HG12 ' B' ' 48' ' ' ILE . 0.0 OUTLIER 74.12 -42.46 0.51 Allowed 'General case' 0 N--CA 1.475 0.794 0 O-C-N 123.949 0.781 . . . . 4.3899999999999997 110.09 -178.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.768 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 0.9 OUTLIER 68.52 -71.0 0.12 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.213 1.005 . . . . 2.9700000000000002 111.488 178.114 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 1.074 HG12 HD21 ' B' ' 46' ' ' ASN . 0.3 OUTLIER 70.61 138.38 0.06 OUTLIER Pre-proline 0 CA--C 1.551 1.017 0 O-C-N 123.485 0.491 . . . . 3.9700000000000002 110.104 -178.264 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.845 ' HB3' ' HB2' ' B' ' 53' ' ' ALA . 2.6 Cg_endo -41.29 -38.86 3.75 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 124.06 3.174 . . . . 3.6600000000000001 113.853 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 69.64 -66.4 0.27 Allowed 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.658 0.783 . . . . 5.1100000000000003 111.769 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.01 10.23 0.39 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.686 0.625 . . . . 8.3200000000000003 112.686 -178.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -163.55 117.39 1.55 Allowed 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.872 0.844 . . . . 6.1200000000000001 110.75 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.845 ' HB2' ' HB3' ' B' ' 49' ' ' PRO . . . -145.94 -147.83 0.23 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.188 -1.369 . . . . 7.4400000000000004 110.1 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 72.7 -18.66 0.34 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.226 0.825 . . . . 10.52 113.226 178.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -124.51 20.7 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.846 0.355 . . . . 12.48 111.017 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.24 -40.8 81.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.921 -0.581 . . . . 11.92 110.721 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . 52.22 51.22 16.76 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.998 -0.546 . . . . 12.460000000000001 111.083 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.82 133.67 40.22 Favored Glycine 0 C--N 1.332 0.328 0 CA-C-N 115.56 -0.745 . . . . 14.220000000000001 113.301 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -157.68 -170.15 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.242 -0.651 . . . . 16.629999999999999 109.242 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 64.71 -82.22 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.987 0.804 . . . . 18.329999999999998 111.662 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 15.4 m -82.82 54.5 2.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.464 -0.335 . . . . 19.620000000000001 111.685 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' B' ' 62' ' ' LEU . 14.3 mt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.603 -0.713 . . . . 21.170000000000002 110.466 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.537 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 O4'-C1'-N19 108.54 0.925 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.429 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C1'-N19 108.976 1.47 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O4'-C1'-N19 109.181 1.727 . . . . 5.9000000000000004 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O3'-P-O5' 100.125 -2.04 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.055 0 O3'-P-O5' 100.823 -1.672 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . 0.595 ' H62' ' HG2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O3'-P-O5' 100.64 -1.769 . . . . 7.7999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O3'-P-O5' 100.096 -2.055 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.111 0 O4'-C1'-N19 109.29 1.863 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O3'-P-O5' 100.074 -2.066 . . . . 6.2400000000000002 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.031 0 O3'-P-O5' 100.388 -1.901 . . . . 5.0499999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.516 " H3'" ' OH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 O3'--C3' 1.418 -0.964 0 C5'-C4'-C3' 111.128 -2.382 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.402 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.416 -1.15 0 O3'-P-O5' 99.025 -2.618 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.402 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O3'-P-O5' 99.966 -2.123 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O3'-P-O5' 99.921 -2.147 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.031 0 O3'-P-O5' 100.42 -1.884 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O3'-P-O5' 100.639 -1.769 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 108.905 1.381 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 N19-C1'-C2' 115.844 1.027 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.463 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.565 0 O4'-C1'-C2' 107.049 0.863 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.476 ' OP2' ' HB3' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.422 -1.107 0 O4'-C1'-N19 109.474 2.093 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.454 ' OP2' H2'' ' D' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 P-O5'-C5' 118.251 -1.656 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O3'-P-O5' 99.785 -2.219 . . . . 6.2199999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . 0.52 ' H62' ' NE2' ' B' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 O3'-P-O5' 100.958 -1.601 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O3'-P-O5' 100.161 -2.02 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O3'-P-O5' 99.998 -2.106 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.051 0 O3'-P-O5' 100.32 -1.937 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O3'-P-O5' 99.577 -2.328 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.08 0 O3'-P-O5' 100.009 -2.101 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.418 -1.022 0 O3'-P-O5' 99.802 -2.209 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.12 0 O3'-P-O5' 100.056 -2.076 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.07 0 O3'-P-O5' 99.867 -2.175 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O3'-P-O5' 100.095 -2.055 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O3'-P-O5' 100.706 -1.734 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O3'-P-O5' 100.832 -1.668 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O3'-P-O5' 101.265 -1.44 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 N19-C1'-C2' 115.58 0.862 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 tpt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.49 -0.189 . . . . 8.1099999999999994 110.49 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.635 ' HA ' HG21 ' A' ' 48' ' ' ILE . 46.0 mttm -120.43 88.36 42.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.542 -0.54 . . . . 7.29 109.542 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -97.72 -0.22 1.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.292 2.661 . . . . 4.3700000000000001 115.102 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.666 HG13 ' HB2' ' A' ' 8' ' ' ASP . 4.8 t -136.67 147.09 27.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 114.07 1.137 . . . . 3.4500000000000002 114.07 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.412 ' N ' HG12 ' A' ' 4' ' ' VAL . 33.7 p -130.71 165.89 21.91 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 112.446 -2.161 . . . . 3.5499999999999998 105.197 175.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.78 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.2 mt -60.56 -21.1 62.18 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 118.71 -1.196 . . . . 2.8500000000000001 111.529 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -65.0 -38.44 90.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.637 -0.71 . . . . 4.3899999999999997 111.05 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.666 ' HB2' HG13 ' A' ' 4' ' ' VAL . 28.4 m-20 -65.61 -45.78 81.82 Favored 'General case' 0 CA--C 1.507 -0.673 0 CA-C-N 114.461 -1.245 . . . . 4.1299999999999999 110.785 -177.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 42' ' ' MET . 90.7 t -67.17 -39.41 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-O 121.735 0.778 . . . . 2.9100000000000001 108.916 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -59.45 -46.83 87.66 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.352 -1.294 . . . . 3.1400000000000001 111.148 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -67.35 -49.36 64.36 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.29 -0.633 . . . . 5.2400000000000002 109.29 -178.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.787 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 47.7 t80 -61.24 -30.07 70.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.287 -0.869 . . . . 3.8199999999999998 111.74 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.693 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -81.68 -27.29 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.815 0.817 . . . . 2.8700000000000001 109.485 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.0 34.16 9.09 Favored Glycine 0 N--CA 1.438 -1.177 0 CA-C-N 114.678 -1.146 . . . . 3.2799999999999998 110.305 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.625 HG21 HG12 ' A' ' 38' ' ' VAL . 2.0 m -140.14 146.85 24.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 114.284 -0.958 . . . . 3.3900000000000001 110.774 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -55.02 149.67 11.53 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.661 0.744 . . . . 4.3399999999999999 110.72 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.658 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 64.0 t80 -49.7 -50.93 41.97 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.328 -1.306 . . . . 3.71 112.285 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.505 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -63.04 -27.58 69.51 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.478 -0.783 . . . . 5.5 112.402 -178.409 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.578 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.5 m -63.08 -61.85 2.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.713 0.292 . . . . 3.6499999999999999 110.826 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.739 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 1.6 m -69.22 -29.33 42.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.393 -0.367 . . . . 2.8500000000000001 111.413 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.2 t -57.97 -45.56 86.53 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.202 -0.666 . . . . 3.1899999999999999 109.202 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.81 -24.04 62.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.583 -0.735 . . . . 4.4400000000000004 110.027 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.82 HG11 HG21 ' A' ' 38' ' ' VAL . 48.0 t -65.55 -51.27 65.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 109.176 -0.676 . . . . 2.9100000000000001 109.176 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.71 -21.1 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 115.321 -0.854 . . . . 2.7200000000000002 110.961 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.617 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 10.3 m-80 -100.42 13.0 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.873 0.694 . . . . 3.6800000000000002 112.873 -177.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.617 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 21.4 mt-30 89.97 90.23 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.978 0.894 . . . . 6.0800000000000001 110.377 177.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.533 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -85.0 113.6 21.55 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.343 -1.299 . . . . 4.6299999999999999 110.368 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.53 -23.27 63.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.86 -0.609 . . . . 5.0899999999999999 112.113 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.446 ' HB3' ' H ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -131.62 -124.55 0.2 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.292 -0.633 . . . . 5.7999999999999998 109.292 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.483 HG13 ' OP2' ' C' ' 3' ' ' ' DA' . 54.8 t 71.17 156.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 120.997 0.427 . . . . 4.2300000000000004 110.893 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.6 m -85.92 163.09 18.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.226 0.536 . . . . 3.6600000000000001 111.572 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -61.77 -56.35 20.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.226 -0.897 . . . . 3.2799999999999998 110.722 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 39.5 pttt -52.21 -29.07 20.9 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.714 0.634 . . . . 4.5899999999999999 112.021 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.913 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 2.1 m -70.78 -51.17 28.71 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 121.01 -0.276 . . . . 2.8599999999999999 111.645 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 12.7 mtm180 -58.76 -46.47 87.41 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.44 -0.345 . . . . 4.1600000000000001 110.417 -178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 4.1 pt-20 -67.96 -28.84 67.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.867 -0.606 . . . . 3.5499999999999998 111.035 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.913 ' HD2' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -74.6 -41.68 60.01 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.54 -0.541 . . . . 2.8399999999999999 109.54 179.231 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.82 HG21 HG11 ' A' ' 23' ' ' VAL . 2.3 m -68.75 -44.53 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 N-CA-C 108.309 -0.997 . . . . 2.2599999999999998 108.309 177.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.551 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -57.28 -45.28 84.24 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.133 -0.939 . . . . 3.27 109.515 177.637 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.69 -54.81 40.73 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 109.072 -0.714 . . . . 2.8599999999999999 109.072 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.787 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.55 -51.03 51.73 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 113.117 0.784 . . . . 2.8900000000000001 113.117 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.458 ' N ' HG13 ' A' ' 9' ' ' VAL . 15.1 ptp -64.85 -32.07 73.59 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.842 -0.343 . . . . 2.8799999999999999 110.279 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.87 -44.91 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 3.6000000000000001 111.067 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.41 -43.14 74.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.818 -0.628 . . . . 4.0899999999999999 110.729 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -81.22 0.09 38.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.986 -0.552 . . . . 3.71 110.926 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.51 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 3.9 t30 74.9 -45.29 0.57 Allowed 'General case' 0 N--CA 1.474 0.754 0 O-C-N 123.708 0.63 . . . . 4.1799999999999997 110.624 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.78 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.8 t80 53.61 84.15 0.06 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.743 0.783 . . . . 3.1000000000000001 111.925 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.635 HG21 ' HA ' ' A' ' 2' ' ' LYS . 7.3 tp -74.44 132.41 78.74 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.151 -0.931 . . . . 3.7000000000000002 110.311 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 32.2 Cg_exo -59.85 148.85 86.76 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.804 2.336 . . . . 3.6000000000000001 113.064 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -118.43 -123.97 0.28 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.868 -0.605 . . . . 5.1399999999999997 110.078 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 52' ' ' CYS . 21.5 ttm180 57.18 41.28 27.28 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.031 0.532 . . . . 9.0 111.501 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 5.2 t 174.19 134.3 0.03 OUTLIER 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.584 -0.895 . . . . 5.8700000000000001 108.584 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -150.59 97.39 2.5 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.538 -1.21 . . . . 7.9500000000000002 111.009 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.417 ' HA ' ' OD1' ' B' ' 25' ' ' ASN . 0.3 OUTLIER -97.53 25.24 5.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.783 -0.644 . . . . 10.550000000000001 110.325 -179.327 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -172.24 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.439 -0.8 . . . . 13.16 110.151 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.791 ' HG ' ' H ' ' A' ' 57' ' ' ALA . 13.2 tp 54.5 -155.56 0.24 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.441 -0.8 . . . . 12.140000000000001 110.601 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.791 ' H ' ' HG ' ' A' ' 56' ' ' LEU . . . -110.47 5.75 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.082 0.468 . . . . 14.140000000000001 110.192 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.32 -67.98 1.53 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.8 -0.714 . . . . 16.039999999999999 111.813 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -74.08 -36.19 64.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.893 0.378 . . . . 17.800000000000001 110.264 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.425 HE21 ' HB3' ' A' ' 60' ' ' GLN . 4.2 tt0 -95.29 61.66 2.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.909 -0.587 . . . . 19.609999999999999 109.978 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.74 -76.17 0.55 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.741 -0.663 . . . . 20.57 110.402 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.464 0.268 0 CA-C-N 115.7 -0.682 . . . . 21.890000000000001 111.518 179.549 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 C--O 1.234 0.264 0 CA-C-O 121.08 0.467 . . . . 10.35 110.71 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -122.93 119.98 27.72 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 8.3300000000000001 110.973 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -85.16 -156.82 0.07 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.918 2.412 . . . . 4.4900000000000002 110.615 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.628 HG13 ' HB2' ' B' ' 8' ' ' ASP . 60.9 t -104.56 138.71 28.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 122.23 1.014 . . . . 3.1600000000000001 111.155 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.566 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.1 OUTLIER -109.64 154.89 22.18 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 104.578 -2.379 . . . . 3.1699999999999999 104.578 176.604 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 1.047 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.0 OUTLIER -60.03 -20.63 58.89 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.279 -1.368 . . . . 2.5600000000000001 110.381 -178.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.81 -33.93 76.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.78 -1.1 . . . . 4.2800000000000002 110.159 177.249 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.628 ' HB2' HG13 ' B' ' 4' ' ' VAL . 1.7 m-20 -65.4 -46.3 80.59 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.642 -1.163 . . . . 3.77 109.921 -178.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' B' ' 42' ' ' MET . 95.9 t -67.84 -42.08 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 114.732 -1.122 . . . . 2.6800000000000002 109.323 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.568 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.19 -46.2 86.22 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.216 -1.356 . . . . 3.1299999999999999 111.273 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -49.99 65.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.481 0.658 . . . . 5.21 109.478 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.853 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 35.6 t80 -60.09 -28.83 68.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.956 -1.02 . . . . 3.6200000000000001 111.587 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.97 -26.12 27.33 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.509 0.671 . . . . 2.9399999999999999 109.562 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.49 31.77 15.3 Favored Glycine 0 CA--C 1.497 -1.08 0 CA-C-N 114.697 -1.138 . . . . 3.6600000000000001 111.242 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.697 ' HB ' HG21 ' B' ' 19' ' ' THR . 10.0 m -139.68 149.15 22.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 114.563 -0.819 . . . . 3.5299999999999998 111.303 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.481 ' O ' ' HB ' ' B' ' 19' ' ' THR . 5.6 m -47.82 156.77 0.31 Allowed 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.111 0.481 . . . . 4.3799999999999999 110.891 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.815 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 65.6 t80 -54.98 -56.83 15.38 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.092 -0.958 . . . . 3.6200000000000001 109.591 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.853 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.285 0.0 OUTLIER -76.79 11.04 1.87 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 118.367 -1.333 . . . . 5.04 113.538 177.631 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.697 HG21 ' HB ' ' B' ' 15' ' ' VAL . 27.0 m -72.26 -60.14 2.38 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 102.689 -3.078 . . . . 3.7799999999999998 102.689 172.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.774 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.0 OUTLIER -77.25 -33.58 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.132 0 CA-C-N 111.697 -2.502 . . . . 2.9300000000000002 112.252 178.077 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.853 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 17.9 t -62.93 -33.97 76.47 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.454 -0.943 . . . . 3.23 108.454 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 2.5 ttm180 -69.54 -30.78 68.67 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.498 -1.297 . . . . 5.4000000000000004 107.498 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 1.002 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 72.3 t -65.19 -51.42 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.3 -1.318 . . . . 3.1800000000000002 108.209 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 94.7 t -68.23 -20.2 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.344 -0.844 . . . . 3.1200000000000001 111.291 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 4.0 m-80 -100.96 18.05 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 122.248 -0.283 . . . . 4.0700000000000003 111.3 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 92.3 mm-40 89.78 81.33 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 124.105 0.962 . . . . 6.0300000000000002 108.975 178.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 1.002 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -71.34 85.73 0.81 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 113.711 -1.586 . . . . 4.4800000000000004 112.475 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.41 -15.01 47.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.205 0.526 . . . . 5.6900000000000004 110.673 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.573 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 30.1 m-70 -137.87 87.37 2.24 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.161 -0.472 . . . . 6.5300000000000002 110.678 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.1 m -153.32 170.29 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 CA-C-N 115.727 -0.669 . . . . 4.4299999999999997 109.794 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.05 177.19 5.68 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.616 -0.434 . . . . 3.96 110.669 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.46 -67.49 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.501 0.556 . . . . 3.3100000000000001 112.501 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -48.23 -47.81 35.56 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 112.391 0.515 . . . . 4.9000000000000004 112.391 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.694 ' O ' HG13 ' B' ' 38' ' ' VAL . 8.0 m -50.45 -45.18 55.83 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.11 -0.496 . . . . 3.1299999999999999 112.03 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 51.8 mtm180 -62.3 -41.7 98.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.22 0.533 . . . . 3.9100000000000001 109.976 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -68.06 -32.42 72.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.138 -0.937 . . . . 2.9399999999999999 110.323 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -71.45 -47.13 57.69 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.93 -0.577 . . . . 3.1000000000000001 110.561 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.828 HG21 HG11 ' B' ' 23' ' ' VAL . 3.0 m -66.74 -43.56 89.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.439 -0.578 . . . . 2.3300000000000001 109.439 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.9 mt-10 -60.13 -43.73 95.45 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.842 -0.617 . . . . 3.0 109.456 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.75 -51.88 65.39 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.012 -0.736 . . . . 2.6499999999999999 109.012 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.853 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.04 -51.39 57.76 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.985 0.735 . . . . 2.6800000000000002 112.985 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.466 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.1 ptp -64.99 -31.76 73.15 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.233 -0.284 . . . . 2.7400000000000002 110.233 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 -45.7 63.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.872 0.368 . . . . 3.4300000000000002 111.282 -178.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 41.1 mm-40 -66.26 -44.61 83.18 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.921 -0.582 . . . . 3.8100000000000001 110.841 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.4 mt -81.72 0.42 39.0 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.309 -0.859 . . . . 3.4700000000000002 110.849 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 7.7 t30 74.21 -45.86 0.6 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.39 0.676 . . . . 4.3899999999999997 110.809 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 1.047 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 5.1 t80 47.67 82.87 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 O-C-N 123.952 0.783 . . . . 2.9700000000000002 112.264 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' B' ' 48' ' ' ILE . 7.7 tp -75.07 127.57 86.45 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.309 -0.859 . . . . 3.9700000000000002 110.261 179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -66.36 113.53 2.71 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.345 2.03 . . . . 3.6600000000000001 111.939 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -61.55 -58.88 6.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 5.1100000000000003 111.707 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -157.99 39.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.048 0.451 . . . . 8.3200000000000003 111.219 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.405 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 32.5 m -130.87 -47.45 1.03 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.488 -0.324 . . . . 6.1200000000000001 111.333 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 52' ' ' CYS . . . 68.63 -167.34 0.19 Allowed 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.752 0.657 . . . . 7.4400000000000004 111.065 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -121.08 -127.33 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.314 -0.403 . . . . 10.52 110.199 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -78.57 55.29 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.264 0.554 . . . . 12.48 111.055 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mp -111.47 -27.95 8.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.862 -0.608 . . . . 11.92 110.519 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.71 110.32 2.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 12.460000000000001 110.935 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.07 18.71 74.11 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.96 -0.638 . . . . 14.220000000000001 112.49 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -140.56 -35.02 0.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.245 0.545 . . . . 16.629999999999999 110.632 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -130.49 -165.21 1.52 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.619 -0.719 . . . . 18.329999999999998 110.133 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.92 150.26 33.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.074 -0.512 . . . . 19.620000000000001 109.838 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--O 1.243 0.747 0 CA-C-O 118.82 -0.61 . . . . 21.170000000000002 109.4 179.812 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.426 H2'' ' C8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.513 -0.532 0 O4'-C1'-N19 108.571 0.964 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.426 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.13 0 O4'-C1'-N19 109.391 1.988 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.483 ' OP2' HG13 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 O4'-C1'-N19 109.118 1.647 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O3'-P-O5' 100.818 -1.675 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-N19 108.933 1.417 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-N19 109.324 1.905 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-N19 109.524 2.155 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.418 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-N19 109.323 1.903 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.431 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O3'-P-O5' 101.333 -1.404 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.485 ' C8 ' ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C1'-N19 108.89 1.363 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.566 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.455 0.824 0 O4'-C1'-N19 110.03 2.787 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O3'-P-O5' 99.718 -2.254 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O3'-P-O5' 100.422 -1.883 . . . . 6.0800000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 O3'-P-O5' 100.774 -1.698 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C1'-N19 109.213 1.766 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O3'-P-O5' 100.733 -1.72 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O3'-P-O5' 101.453 -1.341 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 N19-C1'-C2' 115.987 1.117 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.486 0 O4'-C1'-C2' 106.954 0.777 . . . . 7.4000000000000004 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.573 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.422 -1.121 0 O4'-C1'-N19 109.56 2.2 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.456 ' OP2' H2'' ' D' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 109.32 1.9 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 O3'-P-O5' 100.309 -1.942 . . . . 6.2199999999999998 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 108.793 1.241 . . . . 7.4699999999999998 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 O4'-C1'-N19 109.569 2.211 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-N19 109.401 2.002 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.061 0 O4'-C1'-N19 109.218 1.772 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.408 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.039 0 O3'-P-O5' 100.673 -1.751 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . 0.423 " C2'" ' H71' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.906 0 O3'-P-O5' 101.416 -1.36 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . 0.423 ' H71' " C2'" ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.421 -0.777 0 O4'-C1'-N19 109.804 2.506 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.992 0 O4'-C1'-N19 109.557 2.196 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O3'-P-O5' 100.463 -1.862 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O3'-P-O5' 100.779 -1.695 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-N19 109.159 1.699 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-N19 109.196 1.745 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O3'-P-O5' 101.439 -1.348 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 107.049 0.863 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 mtt . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.391 -0.225 . . . . 8.1099999999999994 110.391 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.496 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 29.3 ttpt -108.4 -47.67 0.1 OUTLIER Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 116.443 -0.344 . . . . 7.29 111.357 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.531 ' HA ' ' HG2' ' A' ' 49' ' ' PRO . 75.5 Cg_exo -57.25 155.22 30.54 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.395 2.063 . . . . 4.3700000000000001 113.544 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.688 HG13 ' HB2' ' A' ' 8' ' ' ASP . 80.1 t -136.13 141.97 40.08 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 CA-C-N 115.351 -0.84 . . . . 3.4500000000000002 110.175 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.9 p -106.54 161.54 14.52 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.416 -1.327 . . . . 3.5499999999999998 107.416 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.816 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.5 mt -59.53 -24.5 63.73 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.435 -0.906 . . . . 2.8500000000000001 110.611 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -65.32 -37.52 87.36 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.784 0.802 . . . . 4.3899999999999997 110.054 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.688 ' HB2' HG13 ' A' ' 4' ' ' VAL . 22.0 m-20 -65.04 -45.31 85.92 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.076 -1.42 . . . . 4.1299999999999999 109.913 -178.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG13 ' HB3' ' A' ' 41' ' ' ALA . 93.4 t -68.65 -42.06 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 CA-C-N 115.608 -0.724 . . . . 2.9100000000000001 109.179 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.39 -46.85 82.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.628 -1.169 . . . . 3.1400000000000001 111.258 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.6 -49.79 61.36 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.743 -0.662 . . . . 5.2400000000000002 109.666 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.83 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.1 t80 -61.72 -27.65 68.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.138 -0.937 . . . . 3.8199999999999998 111.549 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.57 -27.41 27.3 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.572 0.701 . . . . 2.8700000000000001 109.77 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.3 35.52 8.72 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 114.792 -1.095 . . . . 3.2799999999999998 110.863 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.732 HG11 HG23 ' A' ' 34' ' ' THR . 3.8 m -139.35 146.06 26.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 114.416 -0.892 . . . . 3.3900000000000001 110.378 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.424 ' O ' ' HB ' ' A' ' 19' ' ' THR . 78.7 p -57.16 145.77 30.22 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.284 -0.567 . . . . 4.3399999999999999 109.998 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.682 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 84.7 t80 -46.53 -51.26 15.83 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.038 -0.983 . . . . 3.71 112.968 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -20.13 65.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.103 -0.499 . . . . 5.5 111.904 -178.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 23' ' ' VAL . 77.8 m -68.93 -61.28 1.86 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.826 -0.435 . . . . 3.6499999999999999 109.826 178.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -68.75 -29.01 42.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.045 -0.525 . . . . 2.8500000000000001 111.501 -179.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -56.98 -45.32 83.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.733 -0.469 . . . . 3.1899999999999999 109.733 178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -70.28 -29.46 66.23 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.275 -0.639 . . . . 4.4400000000000004 109.275 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.035 HG11 HG21 ' A' ' 38' ' ' VAL . 53.7 t -65.95 -49.91 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 114.811 -1.086 . . . . 2.9100000000000001 109.718 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG12 HD22 ' A' ' 25' ' ' ASN . 0.5 OUTLIER -64.11 -20.11 26.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.11 -0.95 . . . . 2.7200000000000002 111.56 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 2.5 m-80 -90.86 -14.34 31.98 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.509 0.559 . . . . 3.6800000000000002 112.509 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.634 ' HB2' ' H ' ' A' ' 62' ' ' LEU . 29.4 pt20 153.63 -42.37 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 O-C-N 124.293 0.996 . . . . 6.0800000000000001 111.356 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.014 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 63.9 175.35 0.17 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.172 0.589 . . . . 4.6299999999999999 111.315 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 p -172.92 -76.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.217 0.532 . . . . 5.0899999999999999 110.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -90.03 75.24 7.15 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.727 0.775 . . . . 5.7999999999999998 109.167 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 t -141.25 150.05 20.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.397 -1.274 . . . . 4.2300000000000004 109.165 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.422 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 26.8 m -73.41 162.25 29.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.279 0.561 . . . . 3.6600000000000001 111.607 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -63.69 -60.0 3.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.154 -0.93 . . . . 3.2799999999999998 111.215 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -50.03 -45.23 51.87 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.695 0.622 . . . . 4.5899999999999999 111.416 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.732 HG23 HG11 ' A' ' 15' ' ' VAL . 4.4 m -50.12 -48.22 53.6 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.352 -0.84 . . . . 2.8599999999999999 111.754 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 38' ' ' VAL . 71.3 mtm-85 -65.02 -37.37 87.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.708 -0.478 . . . . 4.1600000000000001 109.708 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 22.6 mt-10 -66.66 -34.16 77.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.57 -0.741 . . . . 3.5499999999999998 109.726 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -73.1 -47.69 42.18 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.496 -0.775 . . . . 2.8399999999999999 110.541 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.035 HG21 HG11 ' A' ' 23' ' ' VAL . 2.8 m -63.87 -46.4 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 109.179 -0.674 . . . . 2.2599999999999998 109.179 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 16.1 mt-10 -58.66 -48.59 80.54 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.468 -0.787 . . . . 3.27 109.81 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.635 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -58.98 -54.21 49.69 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.39 -0.596 . . . . 2.8599999999999999 109.39 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.83 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.6 -52.17 49.71 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 113.421 0.897 . . . . 2.8900000000000001 113.421 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.401 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.6 ptp -65.84 -32.54 74.12 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.511 -0.476 . . . . 2.8799999999999999 110.308 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.83 -44.02 67.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 3.6000000000000001 111.227 -178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.2 mm-40 -68.27 -44.21 76.05 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.818 -0.628 . . . . 4.0899999999999999 110.577 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.6 mt -80.48 0.25 34.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.578 -0.737 . . . . 3.71 110.691 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.475 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 6.3 t30 73.73 -51.78 0.7 Allowed 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.722 0.639 . . . . 4.1799999999999997 110.164 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.816 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 3.9 t80 49.75 85.56 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.321 0.86 . . . . 3.1000000000000001 113.321 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.554 HG22 ' CD ' ' A' ' 49' ' ' PRO . 1.2 mp -124.89 -57.9 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.607 -0.724 . . . . 3.7000000000000002 110.318 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.554 ' CD ' HG22 ' A' ' 48' ' ' ILE . 20.0 Cg_endo -97.29 107.81 0.09 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.614 2.209 . . . . 3.6000000000000001 112.983 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' A' ' 4' ' ' VAL . 31.0 p-10 -88.07 -25.52 23.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.802 -0.635 . . . . 5.1399999999999997 110.593 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 28.3 ttp85 170.36 -30.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.069 -1.085 . . . . 9.0 108.069 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' B' ' 52' ' ' CYS . 50.3 t -173.72 -60.12 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 114.625 -1.171 . . . . 5.8700000000000001 108.916 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' B' ' 52' ' ' CYS . . . -177.44 -169.8 0.25 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.7 -0.682 . . . . 7.9500000000000002 109.422 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.503 HE21 " H3'" ' D' ' 11' ' ' ' DT' . 51.1 mt-30 -126.31 172.65 9.94 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.445 -0.576 . . . . 10.550000000000001 109.445 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.52 ' HG2' HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -83.65 22.86 1.03 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.226 0.536 . . . . 13.16 109.873 179.425 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.52 HD22 ' HG2' ' A' ' 55' ' ' GLN . 1.5 mm? -127.27 134.32 50.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.792 -0.64 . . . . 12.140000000000001 110.394 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.85 23.1 12.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.344 0.592 . . . . 14.140000000000001 110.106 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.35 93.63 0.47 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.369 -0.832 . . . . 16.039999999999999 111.561 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -137.8 108.03 6.44 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.994 -0.373 . . . . 17.800000000000001 109.994 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.85 54.59 0.59 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.395 0.616 . . . . 19.609999999999999 109.384 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -11.22 58.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.424 -0.807 . . . . 20.57 112.0 -178.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.634 ' H ' ' HB2' ' A' ' 26' ' ' GLN . 51.9 tp . . . . . 0 C--O 1.236 0.383 0 CA-C-N 115.991 -0.55 . . . . 21.890000000000001 111.148 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.9 tpp . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.424 0.154 . . . . 10.35 110.622 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? 68.09 105.09 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.265 0 O-C-N 123.932 0.77 . . . . 8.3300000000000001 111.397 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.77 121.16 9.54 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.621 2.214 . . . . 4.4900000000000002 111.923 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.624 HG13 ' CB ' ' B' ' 8' ' ' ASP . 83.2 t -69.88 140.71 18.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 122.048 0.928 . . . . 3.1600000000000001 111.53 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.3 OUTLIER -97.47 151.37 20.06 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 105.916 -1.883 . . . . 3.1699999999999999 105.916 177.029 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.875 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.1 mt -60.11 -21.87 62.08 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.187 -1.405 . . . . 2.5600000000000001 109.922 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -36.16 83.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.761 -1.109 . . . . 4.2800000000000002 109.962 177.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.624 ' CB ' HG13 ' B' ' 4' ' ' VAL . 4.9 m-20 -65.45 -44.04 88.52 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.429 -1.26 . . . . 3.77 109.867 -178.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' B' ' 42' ' ' MET . 96.0 t -67.29 -41.6 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 115.192 -0.913 . . . . 2.6800000000000002 109.254 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.486 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.15 -46.33 90.04 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.189 -1.369 . . . . 3.1299999999999999 111.444 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -65.03 -49.37 70.42 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.193 -0.669 . . . . 5.21 109.193 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.762 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 45.2 t80 -60.4 -28.12 67.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.828 -1.078 . . . . 3.6200000000000001 111.477 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.482 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -86.16 -26.09 25.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.743 0.782 . . . . 2.9399999999999999 109.562 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.64 31.98 16.95 Favored Glycine 0 CA--C 1.5 -0.869 0 CA-C-N 114.582 -1.19 . . . . 3.6600000000000001 111.253 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.696 ' HB ' HG21 ' B' ' 19' ' ' THR . 16.9 m -139.98 150.61 21.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.212 -0.994 . . . . 3.5299999999999998 111.836 -176.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' B' ' 19' ' ' THR . 4.0 m -50.75 151.31 2.47 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.439 0.638 . . . . 4.3799999999999999 110.591 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.875 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.9 t80 -47.91 -58.44 4.39 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.315 -0.857 . . . . 3.6200000000000001 110.666 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.917 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.4 11.58 0.95 Allowed 'General case' 0 C--O 1.245 0.82 0 N-CA-C 113.969 1.099 . . . . 5.04 113.969 -179.106 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.696 HG21 ' HB ' ' B' ' 15' ' ' VAL . 98.9 m -77.51 -63.04 1.47 Allowed 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 102.066 -3.309 . . . . 3.7799999999999998 102.066 173.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 1.035 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.8 OUTLIER -75.63 -30.54 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 112.586 -2.097 . . . . 2.9300000000000002 112.056 176.66 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.917 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 8.6 t -63.69 -37.11 86.12 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.019 -0.734 . . . . 3.23 109.019 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.441 ' HD3' HG22 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -68.34 -28.31 67.03 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 107.595 -1.261 . . . . 5.4000000000000004 107.595 178.313 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.941 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 69.8 t -65.12 -51.03 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.925 0 CA-C-N 114.429 -1.259 . . . . 3.1800000000000002 108.564 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.67 -21.3 25.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 115.295 -0.866 . . . . 3.1200000000000001 111.446 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.632 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 3.5 m-80 -99.15 20.05 14.18 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.451 -0.341 . . . . 4.0700000000000003 111.409 -177.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.632 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 24.7 mt-30 95.32 82.67 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.671 0 O-C-N 124.661 1.225 . . . . 6.0300000000000002 108.924 178.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.941 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -75.85 62.46 1.57 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.027 -1.442 . . . . 4.4800000000000004 112.356 -178.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p -78.39 -17.17 56.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.421 0.629 . . . . 5.6900000000000004 110.108 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -127.2 78.39 1.81 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.613 -0.721 . . . . 6.5300000000000002 110.251 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.629 ' HA ' " H3'" ' D' ' 2' ' ' ' DG' . 41.6 t -152.82 154.84 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 116.171 -0.468 . . . . 4.4299999999999997 110.11 -178.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.434 ' N ' HG12 ' B' ' 30' ' ' VAL . 0.1 OUTLIER -87.75 169.1 12.38 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.886 0.374 . . . . 3.96 110.789 179.323 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' B' ' 36' ' ' GLU . . . -58.6 -71.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.356 0.873 . . . . 3.3100000000000001 113.356 -178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 21.1 pttm -45.24 -38.64 5.64 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.462 0.912 . . . . 4.9000000000000004 113.462 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.72 ' O ' HG13 ' B' ' 38' ' ' VAL . 5.3 m -62.97 -51.37 67.12 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 112.052 0.39 . . . . 3.1299999999999999 112.052 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 35' ' ' ARG . 16.5 mtm180 -61.99 -36.46 81.58 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 120.98 0.419 . . . . 3.9100000000000001 110.702 -178.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 32' ' ' ALA . 39.7 mm-40 -66.08 -40.04 90.51 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.476 -0.784 . . . . 2.9399999999999999 111.39 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' B' ' 33' ' ' LYS . 6.4 pttt -82.07 -35.96 28.13 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 119.742 -0.783 . . . . 3.1000000000000001 111.995 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 1.035 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 4.4 m -65.25 -46.97 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 109.043 -0.725 . . . . 2.3300000000000001 109.043 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.429 ' N ' HG23 ' B' ' 38' ' ' VAL . 11.6 mt-10 -63.39 -37.16 86.21 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.054 -0.721 . . . . 3.0 109.054 177.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.31 -56.11 25.43 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.086 -1.079 . . . . 2.6499999999999999 108.086 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.762 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.25 -51.22 46.43 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.498 -0.773 . . . . 2.6800000000000002 112.861 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.456 ' HA ' HG22 ' B' ' 9' ' ' VAL . 17.1 ptp -64.62 -32.69 74.45 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.577 -0.449 . . . . 2.7400000000000002 110.265 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.31 -45.86 62.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 3.4300000000000002 111.119 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -41.75 88.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.838 -0.619 . . . . 3.8100000000000001 110.177 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.3 mt -80.72 0.45 34.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.588 -0.733 . . . . 3.4700000000000002 110.585 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.495 HD22 ' C ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER 76.88 -54.21 0.57 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.436 0.694 . . . . 4.3899999999999997 110.096 179.77 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.805 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 4.4 t80 45.27 95.73 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.173 0.921 . . . . 2.9700000000000002 112.279 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.84 137.82 44.46 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.599 -0.728 . . . . 3.9700000000000002 111.721 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -86.74 38.56 0.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 123.065 2.51 . . . . 3.6600000000000001 113.266 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.425 ' HB2' HD11 ' B' ' 62' ' ' LEU . 14.3 t-20 -141.26 89.54 2.24 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.801 -0.444 . . . . 5.1100000000000003 109.801 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -143.3 32.49 1.34 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.002 -0.545 . . . . 8.3200000000000003 110.398 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -175.19 123.24 0.23 Allowed 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.861 0.838 . . . . 6.1200000000000001 109.963 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.91 77.34 1.16 Allowed 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 113.976 -1.465 . . . . 7.4400000000000004 110.526 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -97.71 -67.73 0.83 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.032 -0.531 . . . . 10.52 110.685 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -128.85 5.07 5.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.506 -0.315 . . . . 12.48 111.348 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.465 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.4 OUTLIER -161.25 117.24 2.17 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.127 -0.324 . . . . 11.92 110.127 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -172.19 109.41 0.24 Allowed 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.755 0.659 . . . . 12.460000000000001 110.031 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.55 54.31 3.53 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.528 -0.844 . . . . 14.220000000000001 112.178 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -95.43 -55.9 2.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.565 -0.531 . . . . 16.629999999999999 109.565 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -150.32 -73.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.728 -0.669 . . . . 18.329999999999998 110.484 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 3.8 m -96.93 -13.11 22.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.275 0.56 . . . . 19.620000000000001 110.023 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' B' ' 50' ' ' ASN . 19.2 tp . . . . . 0 C--O 1.252 1.214 0 CA-C-O 117.353 -1.308 . . . . 21.170000000000002 108.19 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.649 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 O4'-C1'-N19 108.6 1.0 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.401 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 O4'-C1'-N19 109.478 2.097 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 109.215 1.769 . . . . 5.9000000000000004 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 O3'-P-O5' 100.56 -1.811 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-N19 108.878 1.347 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C1'-N19 109.428 2.036 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C1'-N19 109.474 2.092 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.418 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C1'-N19 109.389 1.987 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.425 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O3'-P-O5' 100.896 -1.634 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.425 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-N19 108.879 1.349 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.426 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.456 0.886 0 O4'-C1'-N19 110.33 3.163 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.458 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.419 -0.948 0 O3'-P-O5' 99.28 -2.484 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.458 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O3'-P-O5' 100.082 -2.062 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O4'-C1'-N19 109.224 1.78 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.04 0 O3'-P-O5' 100.983 -1.588 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-N19 109.265 1.831 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O3'-P-O5' 101.499 -1.316 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.153 0.957 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.447 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.576 0 O4'-C1'-N19 108.77 1.213 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.629 " H3'" ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 O4'-C1'-N19 109.437 2.046 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.455 H2'' ' OP2' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.07 0 O4'-C1'-N19 109.793 2.492 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.455 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.65 0 O3'-P-O5' 100.13 -2.037 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . 0.425 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-N19 109.005 1.507 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-N19 109.644 2.305 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 109.573 2.216 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.411 " C2'" ' H72' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-N19 109.259 1.823 . . . . 7.7699999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.419 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O3'-P-O5' 100.614 -1.782 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . 0.436 ' C8 ' ' H72' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-N19 108.986 1.483 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . 0.503 " H3'" HE21 ' A' ' 54' ' ' GLN . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.817 2.521 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.079 0 O3'-P-O5' 100.071 -2.068 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . 0.405 " C2'" ' H72' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O3'-P-O5' 99.852 -2.183 . . . . 5.6500000000000004 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.405 ' H72' " C2'" ' D' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O3'-P-O5' 100.577 -1.802 . . . . 7.2400000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-N19 109.227 1.783 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 O4'-C1'-N19 109.277 1.846 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O3'-P-O5' 101.335 -1.402 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 107.156 0.96 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.9 ttp . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.815 0.341 . . . . 8.1099999999999994 110.991 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -112.59 133.32 21.88 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.018 -0.537 . . . . 7.29 109.659 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -51.75 128.4 26.23 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.805 2.336 . . . . 4.3700000000000001 112.035 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.721 HG13 ' HB2' ' A' ' 8' ' ' ASP . 48.5 t -103.37 145.14 12.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.259 1.028 . . . . 3.4500000000000002 112.38 -177.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.464 HG22 ' OP1' ' D' ' 11' ' ' ' DT' . 0.2 OUTLIER -114.8 159.36 20.7 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 105.975 -1.861 . . . . 3.5499999999999998 105.975 176.626 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.847 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.8 mt -58.29 -24.26 58.96 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 119.144 -1.023 . . . . 2.8500000000000001 111.687 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -64.63 -35.86 82.38 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.73 0.776 . . . . 4.3899999999999997 110.553 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.721 ' HB2' HG13 ' A' ' 4' ' ' VAL . 8.2 m-20 -66.12 -46.53 77.24 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 114.469 -1.241 . . . . 4.1299999999999999 110.408 -177.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.55 HG13 ' HB3' ' A' ' 41' ' ' ALA . 95.2 t -67.85 -41.25 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 CA-C-N 115.514 -0.766 . . . . 2.9100000000000001 109.368 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.545 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.74 -46.4 84.53 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.666 -1.152 . . . . 3.1400000000000001 111.32 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -49.96 57.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.929 -0.578 . . . . 5.2400000000000002 109.714 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.828 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 49.7 t80 -61.34 -27.96 68.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.156 -0.929 . . . . 3.8199999999999998 111.673 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.743 ' HB1' ' HG3' ' A' ' 37' ' ' LYS . . . -84.03 -28.51 27.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.621 0.724 . . . . 2.8700000000000001 109.749 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.3 36.4 7.56 Favored Glycine 0 N--CA 1.44 -1.059 0 N-CA-C 110.563 -1.015 . . . . 3.2799999999999998 110.563 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.678 HG11 HG23 ' A' ' 34' ' ' THR . 2.2 m -140.61 147.1 23.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.368 -0.916 . . . . 3.3900000000000001 110.657 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 m -56.01 150.08 14.28 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.652 0.739 . . . . 4.3399999999999999 110.406 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.685 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 78.3 t80 -52.63 -50.2 63.6 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 114.393 -1.276 . . . . 3.71 111.657 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -21.76 64.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.387 -0.824 . . . . 5.5 111.76 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.5 m -70.15 -61.86 1.61 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.776 0.322 . . . . 3.6499999999999999 110.504 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.545 HG11 ' HA ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -69.13 -29.34 42.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.045 -0.525 . . . . 2.8500000000000001 111.831 -179.159 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 t -58.7 -42.63 89.07 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.341 -0.615 . . . . 3.1899999999999999 109.341 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -69.93 -29.9 67.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.014 -0.735 . . . . 4.4400000000000004 109.014 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.014 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 76.8 t -66.47 -49.55 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.725 -1.125 . . . . 2.9100000000000001 110.176 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.26 -16.62 19.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.019 -0.991 . . . . 2.7200000000000002 111.609 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -103.52 -11.38 17.81 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.144 0.794 . . . . 3.6800000000000002 113.144 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 171.83 -64.22 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.164 0.586 . . . . 6.0800000000000001 111.587 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.014 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 66.25 68.96 0.44 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.784 -0.644 . . . . 4.6299999999999999 111.177 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -78.18 -40.78 36.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.876 -0.602 . . . . 5.0899999999999999 111.402 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -121.15 88.31 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 5.7999999999999998 110.29 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.804 HG21 ' HB1' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -146.95 151.99 13.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.665 -0.698 . . . . 4.2300000000000004 110.3 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.63 170.08 17.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.808 0.337 . . . . 3.6600000000000001 111.245 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -63.08 -71.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.727 -0.67 . . . . 3.2799999999999998 111.923 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -43.83 -42.07 5.42 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 122.893 0.477 . . . . 4.5899999999999999 112.238 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.996 ' HA ' ' HD2' ' A' ' 37' ' ' LYS . 55.3 m -56.13 -50.29 71.52 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 112.426 0.528 . . . . 2.8599999999999999 112.426 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' HG22 ' A' ' 38' ' ' VAL . 20.7 mtm-85 -64.89 -39.55 93.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.402 0.62 . . . . 4.1600000000000001 109.764 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 8.3 mm-40 -67.06 -30.82 70.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.816 -1.084 . . . . 3.5499999999999998 110.497 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.996 ' HD2' ' HA ' ' A' ' 34' ' ' THR . 1.6 ptmt -80.67 -39.74 26.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.567 -0.288 . . . . 2.8399999999999999 110.453 -178.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.965 HG21 HG11 ' A' ' 23' ' ' VAL . 3.6 m -66.71 -47.43 83.09 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 N-CA-C 108.773 -0.825 . . . . 2.2599999999999998 108.773 178.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -61.72 -40.33 94.67 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.948 -0.569 . . . . 3.27 109.838 178.192 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.638 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -62.15 -53.82 49.85 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.914 -0.773 . . . . 2.8599999999999999 108.914 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.828 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.74 -51.46 56.04 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.826 -0.624 . . . . 2.8900000000000001 112.596 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.2 ptp -64.8 -31.86 73.29 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 120.8 -0.36 . . . . 2.8799999999999999 110.204 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.24 66.66 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.0 0.429 . . . . 3.6000000000000001 111.222 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 14.6 mm-40 -69.15 -44.77 71.6 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.944 -0.571 . . . . 4.0899999999999999 110.57 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.5 mt -80.55 -1.09 40.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.536 -0.756 . . . . 3.71 109.975 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 t30 70.71 -39.78 0.46 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.138 0.975 . . . . 4.1799999999999997 111.398 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.847 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.2 t80 52.08 54.53 10.66 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 122.053 0.93 . . . . 3.1000000000000001 110.061 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.0 tp -64.92 130.09 94.71 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 114.154 -1.385 . . . . 3.7000000000000002 112.115 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -82.58 161.93 16.79 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.533 2.155 . . . . 3.6000000000000001 111.494 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -52.02 65.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.455 -0.339 . . . . 5.1399999999999997 111.046 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -178.22 81.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.075 -0.713 . . . . 9.0 109.075 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.51 109.79 5.91 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 122.009 0.909 . . . . 5.8700000000000001 110.569 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.413 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -120.88 97.47 5.55 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 113.919 -1.491 . . . . 7.9500000000000002 109.619 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.08 -42.71 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.011 0.434 . . . . 10.550000000000001 111.542 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -76.36 30.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.574 0.583 . . . . 13.16 112.574 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.413 HD11 ' HB1' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -127.29 88.18 2.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.083 0.468 . . . . 12.140000000000001 110.297 178.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.72 -82.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 14.140000000000001 111.084 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.79 109.32 0.35 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.665 -0.778 . . . . 16.039999999999999 112.388 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -153.45 -56.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.182 0.515 . . . . 17.800000000000001 109.87 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.73 17.79 22.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.423 -0.808 . . . . 19.609999999999999 110.327 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.52 -28.25 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.652 -0.704 . . . . 20.57 111.13 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 62' ' ' LEU . 3.2 mm? . . . . . 0 N--CA 1.467 0.4 0 CA-C-N 115.766 -0.652 . . . . 21.890000000000001 111.156 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.9 ttt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.8 0.334 . . . . 10.35 110.71 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.448 ' CB ' ' HD3' ' B' ' 3' ' ' PRO . 4.0 ttmt -173.53 -56.37 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.674 -0.694 . . . . 8.3300000000000001 110.724 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.448 ' HD3' ' CB ' ' B' ' 2' ' ' LYS . 38.3 Cg_exo -66.19 103.23 0.62 Allowed 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.282 1.988 . . . . 4.4900000000000002 112.497 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.609 HG13 ' CB ' ' B' ' 8' ' ' ASP . 44.5 t -132.49 143.74 38.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 114.558 -1.201 . . . . 3.1600000000000001 108.737 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.2 OUTLIER -90.92 148.74 22.24 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 106.763 -1.569 . . . . 3.1699999999999999 106.763 177.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.885 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.5 mt -59.67 -22.7 62.31 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 118.705 -1.198 . . . . 2.5600000000000001 110.077 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.486 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.0 OUTLIER -65.39 -36.3 83.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.85 -1.068 . . . . 4.2800000000000002 109.965 176.692 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.609 ' CB ' HG13 ' B' ' 4' ' ' VAL . 4.6 m-20 -65.9 -43.39 88.37 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.455 -1.248 . . . . 3.77 109.584 -178.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' B' ' 42' ' ' MET . 76.1 t -68.61 -42.74 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-O 121.772 0.796 . . . . 2.6800000000000002 109.075 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.475 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.48 -46.42 83.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.241 -1.345 . . . . 3.1299999999999999 111.819 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.27 -48.56 67.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.243 -0.651 . . . . 5.21 109.243 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.798 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 44.2 t80 -59.75 -28.66 67.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.996 -1.002 . . . . 3.6200000000000001 111.302 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.412 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -85.01 -26.91 26.77 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.461 0.648 . . . . 2.9399999999999999 109.277 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.56 31.11 16.81 Favored Glycine 0 CA--C 1.498 -1.018 0 CA-C-N 114.764 -1.107 . . . . 3.6600000000000001 111.263 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.674 ' HB ' HG21 ' B' ' 19' ' ' THR . 13.3 m -139.14 149.78 23.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.461 -0.87 . . . . 3.5299999999999998 110.334 -177.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -49.68 158.92 0.41 Allowed 'General case' 0 C--O 1.25 1.089 0 CA-C-O 121.661 0.744 . . . . 4.3799999999999999 109.762 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.885 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 71.1 t80 -53.25 -60.25 3.54 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-N 114.993 -1.003 . . . . 3.6200000000000001 110.11 -178.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.716 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -75.73 13.89 0.74 Allowed 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 114.642 1.349 . . . . 5.04 114.642 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.689 ' O ' HG23 ' B' ' 23' ' ' VAL . 90.1 m -77.69 -59.32 2.83 Favored 'General case' 0 CA--C 1.49 -1.342 1 N-CA-C 99.851 -4.129 . . . . 3.7799999999999998 99.851 171.316 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.825 ' O ' ' HB ' ' B' ' 23' ' ' VAL . 0.5 OUTLIER -76.31 -33.72 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 112.957 -1.929 . . . . 2.9300000000000002 113.206 176.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.716 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 33.1 t -64.95 -36.35 84.1 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.707 -1.245 . . . . 3.23 109.563 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 2.7 ttm180 -63.47 -33.6 75.91 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 106.927 -1.509 . . . . 5.4000000000000004 106.927 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 1.103 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 54.8 t -65.31 -51.76 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 113.759 -1.564 . . . . 3.1800000000000002 109.533 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.0 -21.85 28.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.751 -1.113 . . . . 3.1200000000000001 112.442 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.482 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 2.9 m-80 -92.07 -12.21 33.69 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.849 -0.74 . . . . 4.0700000000000003 112.727 -176.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 3.8 pt20 157.92 -41.41 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.765 0.666 . . . . 6.0300000000000002 111.113 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 1.103 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 60.22 71.97 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.254 -0.884 . . . . 4.4800000000000004 111.685 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.0 -23.36 41.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.012 -0.54 . . . . 5.6900000000000004 111.292 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.664 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 57.4 m-70 -139.24 91.22 2.49 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.819 -0.437 . . . . 6.5300000000000002 109.819 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.448 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 15.3 m -146.9 165.86 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 4.4299999999999997 110.822 -179.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.96 -176.56 3.11 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.911 -0.315 . . . . 3.96 110.972 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.28 -70.87 0.29 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.92 0.711 . . . . 3.3100000000000001 112.92 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -45.88 -39.18 8.29 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.814 0.672 . . . . 4.9000000000000004 112.814 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.709 ' O ' HG13 ' B' ' 38' ' ' VAL . 12.0 m -59.83 -50.19 74.75 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 112.153 0.427 . . . . 3.1299999999999999 112.153 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -64.19 -36.78 85.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.892 0.377 . . . . 3.9100000000000001 110.294 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.14 -34.21 77.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.618 -0.719 . . . . 2.9399999999999999 109.912 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -76.16 -44.39 38.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.984 -0.553 . . . . 3.1000000000000001 111.207 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.894 HG21 HG11 ' B' ' 23' ' ' VAL . 3.5 m -67.19 -46.34 84.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 110.117 -0.327 . . . . 2.3300000000000001 110.117 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.69 -37.88 88.2 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.507 -0.553 . . . . 3.0 109.507 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.595 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -63.24 -54.04 43.49 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 108.418 -0.956 . . . . 2.6499999999999999 108.418 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.798 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.43 -51.43 54.9 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.43 -0.804 . . . . 2.6800000000000002 112.794 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.576 ' HB2' ' HB3' ' B' ' 47' ' ' TYR . 16.7 ptp -65.05 -33.08 75.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.75 0.309 . . . . 2.7400000000000002 110.278 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.85 -43.07 69.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.908 0.385 . . . . 3.4300000000000002 111.059 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 7.4 mm-40 -67.74 -43.27 80.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.87 -0.605 . . . . 3.8100000000000001 110.931 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.7 mt -79.83 -1.24 38.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.768 -0.651 . . . . 3.4700000000000002 110.902 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.424 ' ND2' ' HG3' ' B' ' 2' ' ' LYS . 0.2 OUTLIER 56.87 40.62 28.81 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.826 0.822 . . . . 4.3899999999999997 110.188 179.666 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.827 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 20.0 t80 -58.23 116.78 3.8 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.38 -1.282 . . . . 2.9700000000000002 111.11 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.433 ' H ' HD13 ' B' ' 48' ' ' ILE . 0.2 OUTLIER -54.2 143.13 45.71 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 114.969 -1.014 . . . . 3.9700000000000002 110.564 178.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.83 41.86 0.88 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.024 2.483 . . . . 3.6600000000000001 114.425 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.471 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 1.8 t-20 -164.8 -133.69 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 109.824 -0.435 . . . . 5.1100000000000003 109.824 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.572 ' HD2' ' HG3' ' B' ' 54' ' ' GLN . 3.4 tmt_? 167.51 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 124.066 0.946 . . . . 8.3200000000000003 109.262 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.524 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 64.8 m 79.89 108.66 0.07 Allowed 'General case' 0 CA--C 1.518 -0.257 0 O-C-N 124.146 0.904 . . . . 6.1200000000000001 111.577 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 63.6 82.23 0.19 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.4 -1.273 . . . . 7.4400000000000004 112.746 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.572 ' HG3' ' HD2' ' B' ' 51' ' ' ARG . 1.1 mp0 -108.29 -75.1 0.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.738 -0.665 . . . . 10.52 109.999 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -83.62 -47.31 11.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.916 -0.584 . . . . 12.48 109.812 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 56' ' ' LEU . 2.7 mm? -74.87 88.02 2.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.549 -0.751 . . . . 11.92 110.483 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -161.51 50.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.665 -0.698 . . . . 12.460000000000001 110.086 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.24 -79.99 1.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.966 -0.635 . . . . 14.220000000000001 112.028 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.624 ' H ' H5'' ' D' ' 10' ' ' ' DA' . 13.4 mptt 57.75 50.71 10.26 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 122.982 0.513 . . . . 16.629999999999999 111.486 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -107.73 -158.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.845 -0.616 . . . . 18.329999999999998 110.031 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.46 19.82 17.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.682 0.252 . . . . 19.620000000000001 111.682 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 55.1 mt . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.439 -0.791 . . . . 21.170000000000002 110.348 -179.719 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.665 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.428 0.606 0 O5'-C5'-C4' 111.388 0.849 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.401 H2'' ' OP2' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O4'-C1'-N19 109.618 2.272 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.401 ' OP2' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-N19 109.238 1.798 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O3'-P-O5' 100.631 -1.773 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-N19 108.935 1.419 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-N19 109.474 2.093 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-N19 109.624 2.28 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.439 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-N19 109.358 1.948 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.468 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.906 0 O3'-P-O5' 101.105 -1.523 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.468 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-N19 108.952 1.44 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.432 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-N19 109.889 2.611 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.459 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.418 -0.994 0 O3'-P-O5' 99.164 -2.545 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.459 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 O3'-P-O5' 100.459 -1.864 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.018 0 O4'-C1'-N19 109.232 1.79 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C1'-N19 109.269 1.836 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-N19 109.153 1.691 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 N19-C1'-C2' 116.276 1.297 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 N19-C1'-C2' 115.93 1.081 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.519 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.645 0 O4'-C1'-N19 108.516 0.896 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.664 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-N19 109.597 2.246 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.448 ' OP2' H2'' ' D' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-N19 109.328 1.91 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.414 ' H72' " C2'" ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 O3'-P-O5' 100.51 -1.837 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-N19 108.916 1.396 . . . . 7.4699999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-N19 109.529 2.162 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-N19 109.661 2.326 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-N19 109.173 1.716 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O3'-P-O5' 100.78 -1.695 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . 0.624 H5'' ' H ' ' B' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O3'-P-O5' 101.394 -1.372 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . 0.464 ' OP1' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 O3'--C3' 1.42 -0.856 0 O4'-C1'-N19 109.923 2.654 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O3'-P-O5' 100.186 -2.007 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . 0.41 " C2'" ' H72' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O3'-P-O5' 99.977 -2.117 . . . . 5.6500000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.41 ' H72' " C2'" ' D' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O3'-P-O5' 100.782 -1.694 . . . . 7.2400000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-N19 109.205 1.756 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.08 0 O4'-C1'-N19 109.177 1.721 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O3'-P-O5' 101.514 -1.308 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C1'-C2' 107.153 0.958 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.3 ttp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.561 0.22 . . . . 8.1099999999999994 110.952 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 2.8 ttpt -100.05 108.39 51.77 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.641 0.258 . . . . 7.29 111.045 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 6.3 Cg_exo -78.89 -77.95 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.898 2.399 . . . . 4.3700000000000001 111.583 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.625 HG13 ' HB2' ' A' ' 8' ' ' ASP . 25.8 t -131.5 146.52 33.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 122.027 0.918 . . . . 3.4500000000000002 111.384 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.89 160.34 22.88 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 105.898 -1.89 . . . . 3.5499999999999998 105.898 176.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.713 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 3.7 mt -57.79 -23.43 52.38 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.856 -0.738 . . . . 2.8500000000000001 111.715 -178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -64.57 -38.7 91.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.864 0.84 . . . . 4.3899999999999997 110.293 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.625 ' HB2' HG13 ' A' ' 4' ' ' VAL . 44.7 m-20 -65.72 -44.34 86.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.062 -1.426 . . . . 4.1299999999999999 109.819 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 41' ' ' ALA . 89.5 t -68.62 -42.98 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 CA-C-O 121.537 0.684 . . . . 2.9100000000000001 109.41 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.583 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.06 -47.77 80.17 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.497 -1.229 . . . . 3.1400000000000001 111.529 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.48 -47.9 68.7 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.836 -0.62 . . . . 5.2400000000000002 109.643 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.753 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 55.6 t80 -62.29 -28.32 69.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.298 -0.865 . . . . 3.8199999999999998 111.679 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.06 -27.52 30.21 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.774 0.797 . . . . 2.8700000000000001 109.736 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.91 34.12 9.22 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 114.577 -1.192 . . . . 3.2799999999999998 110.909 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.842 HG11 HG23 ' A' ' 34' ' ' THR . 4.1 m -139.29 147.04 24.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 114.261 -0.97 . . . . 3.3900000000000001 110.178 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -55.45 149.38 13.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.766 0.793 . . . . 4.3399999999999999 110.722 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 65.5 t80 -51.58 -51.18 57.62 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.336 -1.302 . . . . 3.71 112.2 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HB2' HH21 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -62.02 -22.75 65.96 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.981 -1.009 . . . . 5.5 111.989 -179.145 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.2 m -69.93 -60.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.339 0.256 . . . . 3.6499999999999999 110.864 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.624 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 1.3 m -67.98 -28.52 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.414 -0.357 . . . . 2.8500000000000001 111.712 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.5 t -54.97 -45.04 74.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.508 -0.553 . . . . 3.1899999999999999 109.508 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . 10.6 mtt180 -70.28 -27.84 64.73 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.801 -0.636 . . . . 4.4400000000000004 109.954 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.863 HG11 HG21 ' A' ' 38' ' ' VAL . 77.1 t -63.02 -48.9 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 115.333 -0.848 . . . . 2.9100000000000001 109.553 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.06 -20.5 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.527 0.679 . . . . 2.7200000000000002 109.815 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.593 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 10.0 m120 -96.39 5.49 50.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 3.6800000000000002 111.006 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.593 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 13.0 mm100 86.57 -43.63 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.207 1.003 . . . . 6.0800000000000001 111.048 178.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . . . 61.51 -134.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 4.6299999999999999 112.272 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 p -160.52 -43.98 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.84 0.353 . . . . 5.0899999999999999 111.621 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.451 ' HB3' ' H ' ' A' ' 30' ' ' VAL . 10.6 m170 -106.31 -129.35 0.27 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 110.269 -0.271 . . . . 5.7999999999999998 110.269 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.451 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 42.9 t 74.84 151.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 115.515 -0.766 . . . . 4.2300000000000004 110.361 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.85 167.31 15.29 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.024 0.44 . . . . 3.6600000000000001 111.461 -178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.623 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -62.44 -66.21 0.57 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.478 -0.783 . . . . 3.2799999999999998 112.234 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -45.84 -36.19 5.05 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.101 0.778 . . . . 4.5899999999999999 113.101 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.842 HG23 HG11 ' A' ' 15' ' ' VAL . 32.7 m -62.63 -49.74 73.98 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 111.855 0.317 . . . . 2.8599999999999999 111.855 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' O ' HG22 ' A' ' 38' ' ' VAL . 7.0 mtm180 -61.67 -42.23 98.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.095 0.474 . . . . 4.1600000000000001 110.326 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 5.5 mm-40 -65.79 -30.07 70.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.186 -0.916 . . . . 3.5499999999999998 109.322 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -73.92 -46.2 45.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.819 -0.628 . . . . 2.8399999999999999 110.083 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.863 HG21 HG11 ' A' ' 23' ' ' VAL . 1.9 m -65.35 -46.35 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 109.286 -0.635 . . . . 2.2599999999999998 109.286 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -59.78 -40.93 89.9 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.271 -0.64 . . . . 3.27 109.271 178.027 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.89 -56.3 22.75 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 108.601 -0.888 . . . . 2.8599999999999999 108.601 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.753 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.53 -51.08 51.03 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 112.798 0.666 . . . . 2.8900000000000001 112.798 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.413 ' HA ' HG22 ' A' ' 9' ' ' VAL . 15.4 ptp -64.9 -32.16 73.74 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.825 -0.35 . . . . 2.8799999999999999 110.412 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.3 -45.34 63.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 3.6000000000000001 110.817 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.71 -42.77 81.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.703 -0.68 . . . . 4.0899999999999999 110.41 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.4 mt -80.59 0.08 35.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.701 -0.681 . . . . 3.71 110.482 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.452 ' OD1' ' HB ' ' A' ' 48' ' ' ILE . 0.4 OUTLIER 74.61 -47.47 0.63 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.331 0.652 . . . . 4.1799999999999997 111.008 -179.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.713 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.7 t80 48.09 58.86 4.68 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.655 0.74 . . . . 3.1000000000000001 111.88 178.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.452 ' HB ' ' OD1' ' A' ' 46' ' ' ASN . 5.2 tp -77.52 131.0 72.41 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.272 -0.877 . . . . 3.7000000000000002 110.156 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 10.8 Cg_exo -71.69 125.35 11.03 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.55 2.166 . . . . 3.6000000000000001 111.747 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -118.39 -126.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.801 -0.444 . . . . 5.1399999999999997 109.801 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 55.04 38.68 30.9 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.872 0.368 . . . . 9.0 110.09 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 179.54 130.9 0.09 Allowed 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.95 -0.759 . . . . 5.8700000000000001 108.95 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.81 -179.43 3.96 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.723 -1.126 . . . . 7.9500000000000002 111.327 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -121.97 -176.74 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.487 -0.561 . . . . 10.550000000000001 109.487 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -88.72 40.28 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.822 -0.436 . . . . 13.16 109.822 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.37 96.75 10.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.121 -0.491 . . . . 12.140000000000001 110.939 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.49 -28.44 61.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.957 -0.565 . . . . 14.140000000000001 111.132 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.69 16.63 80.59 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.795 -0.717 . . . . 16.039999999999999 112.899 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' HG3' ' A' ' 60' ' ' GLN . 37.4 tttp -67.04 112.82 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.006 -0.368 . . . . 17.800000000000001 110.006 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.469 ' HG3' ' HG2' ' A' ' 59' ' ' LYS . 15.7 mt-30 61.25 26.85 16.64 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.667 0.604 . . . . 19.609999999999999 110.224 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.8 m 71.17 -54.36 0.67 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.502 -0.772 . . . . 20.57 111.155 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.697 0.284 . . . . 21.890000000000001 110.69 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.7 ttm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.962 0.41 . . . . 10.35 110.68 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.93 107.83 61.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.209 -0.45 . . . . 8.3300000000000001 110.181 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.79 -157.38 0.06 OUTLIER 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 123.031 2.487 . . . . 4.4900000000000002 112.116 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.459 HG13 ' CB ' ' B' ' 8' ' ' ASP . 47.8 t -57.13 140.3 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 122.41 1.1 . . . . 3.1600000000000001 111.413 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.744 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.2 OUTLIER -105.49 151.09 24.7 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 105.909 -1.886 . . . . 3.1699999999999999 105.909 177.362 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.897 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.5 mt -59.24 -21.64 59.87 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.139 -1.025 . . . . 2.5600000000000001 110.251 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.622 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -64.3 -37.84 88.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.84 -1.073 . . . . 4.2800000000000002 109.34 177.065 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.459 ' CB ' HG13 ' B' ' 4' ' ' VAL . 2.3 m-20 -66.44 -42.35 87.8 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.324 -1.307 . . . . 3.77 109.87 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' B' ' 42' ' ' MET . 73.0 t -67.86 -44.16 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 115.344 -0.844 . . . . 2.6800000000000002 108.78 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.527 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.0 -46.19 85.62 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.068 -1.424 . . . . 3.1299999999999999 111.368 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -63.71 -49.53 72.71 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.264 -0.643 . . . . 5.21 109.264 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.798 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.4 t80 -61.44 -27.28 68.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.874 -1.057 . . . . 3.6200000000000001 111.19 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -27.15 25.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.436 0.636 . . . . 2.9399999999999999 109.413 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.15 33.34 10.83 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 114.747 -1.115 . . . . 3.6600000000000001 111.553 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.618 ' HB ' HG21 ' B' ' 19' ' ' THR . 9.5 m -142.24 151.13 18.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 118.781 -0.628 . . . . 3.5299999999999998 111.726 -176.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' B' ' 19' ' ' THR . 26.5 p -54.63 160.53 1.79 Allowed 'General case' 0 C--N 1.346 0.456 0 CA-C-O 121.972 0.891 . . . . 4.3799999999999999 111.495 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.649 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 69.3 t80 -52.25 -58.41 6.71 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 114.432 -1.258 . . . . 3.6200000000000001 109.408 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.604 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 1.5 tp-100 -73.81 5.95 3.66 Favored 'General case' 0 N--CA 1.432 -1.338 0 O-C-N 123.902 0.751 . . . . 5.04 111.64 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.618 HG21 ' HB ' ' B' ' 15' ' ' VAL . 19.3 m -71.69 -63.24 1.17 Allowed 'General case' 0 C--N 1.303 -1.452 1 N-CA-C 99.68 -4.193 . . . . 3.7799999999999998 99.68 169.516 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.775 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.7 OUTLIER -77.3 -32.83 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 N-CA-C 116.42 2.007 . . . . 2.9300000000000002 116.42 179.241 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.604 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 12.1 t -62.45 -32.6 73.5 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.519 -0.919 . . . . 3.23 108.519 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -68.3 -30.71 69.77 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.055 -1.461 . . . . 5.4000000000000004 107.055 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.985 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 92.7 t -65.48 -51.17 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.194 0 CA-C-N 114.042 -1.435 . . . . 3.1800000000000002 108.24 177.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.25 -20.16 24.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 114.845 -1.07 . . . . 3.1200000000000001 112.381 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.7 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 6.6 m-80 -100.24 18.91 17.57 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.935 -0.478 . . . . 4.0700000000000003 111.216 -177.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.7 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 0.5 OUTLIER 95.91 81.57 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 124.639 1.212 . . . . 6.0300000000000002 109.143 177.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.985 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -79.5 70.33 5.93 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.528 -1.214 . . . . 4.4800000000000004 111.606 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -78.2 -15.69 58.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.123 -0.49 . . . . 5.6900000000000004 110.757 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.565 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 19.8 m170 -138.02 89.98 2.44 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.032 -0.531 . . . . 6.5300000000000002 110.068 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.51 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 11.6 m -151.23 -174.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 115.811 -0.631 . . . . 4.4299999999999997 110.831 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 6.4 m -107.63 173.13 6.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.217 -0.447 . . . . 3.96 111.013 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.14 -69.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.294 0.85 . . . . 3.3100000000000001 113.294 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -48.68 -33.16 9.54 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.677 0.621 . . . . 4.9000000000000004 112.677 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.727 ' O ' HG13 ' B' ' 38' ' ' VAL . 31.4 m -58.64 -54.46 46.78 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 121.079 -0.248 . . . . 3.1299999999999999 111.011 179.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.44 ' HA ' HG22 ' B' ' 38' ' ' VAL . 25.8 mtm-85 -60.97 -40.41 93.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 3.9100000000000001 111.174 -177.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -65.64 -33.3 75.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.678 -0.692 . . . . 2.9399999999999999 111.151 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -80.38 -43.64 20.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.34 -0.391 . . . . 3.1000000000000001 110.76 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.775 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.5 m -68.59 -46.89 79.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 2.3300000000000001 110.673 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.407 ' N ' HG23 ' B' ' 38' ' ' VAL . 19.3 mt-10 -62.53 -37.48 86.23 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.098 -0.704 . . . . 3.0 109.098 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.616 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.73 -53.03 60.58 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.587 -0.894 . . . . 2.6499999999999999 108.587 177.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.798 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.79 -51.92 52.84 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 113.042 0.756 . . . . 2.6800000000000002 113.042 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.438 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.7 ptp -64.4 -32.1 73.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.598 0.237 . . . . 2.7400000000000002 110.413 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.78 -44.39 66.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.427 -0.352 . . . . 3.4300000000000002 111.199 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 5.0 mm-40 -66.68 -44.04 82.83 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.35 0.595 . . . . 3.8100000000000001 110.452 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt -80.38 0.13 34.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.439 -0.8 . . . . 3.4700000000000002 109.937 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 t30 73.1 -48.62 0.69 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.087 0.955 . . . . 4.3899999999999997 110.904 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.897 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 2.1 t80 47.34 64.45 1.58 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.703 0.763 . . . . 2.9700000000000002 110.969 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.54 HD12 ' HD2' ' B' ' 49' ' ' PRO . 11.2 tp -60.93 115.86 15.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.73 -1.123 . . . . 3.9700000000000002 112.553 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.54 ' HD2' HD12 ' B' ' 48' ' ' ILE . 87.9 Cg_endo -84.62 58.81 5.51 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.745 2.297 . . . . 3.6600000000000001 111.805 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -38.93 83.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.898 -0.592 . . . . 5.1100000000000003 111.757 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 51' ' ' ARG . 26.5 ttp-105 -86.31 18.93 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.913 0.387 . . . . 8.3200000000000003 111.102 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.17 -55.85 0.81 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.503 -0.317 . . . . 6.1200000000000001 110.336 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 65.35 82.37 0.19 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.013 0.821 . . . . 7.4400000000000004 111.807 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -81.29 -78.54 0.18 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.127 -0.488 . . . . 10.52 109.963 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -137.0 4.68 2.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.969 -0.56 . . . . 12.48 109.867 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 40.9 mt -130.55 137.71 49.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.534 -0.757 . . . . 11.92 109.857 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.22 -28.43 15.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.197 -0.456 . . . . 12.460000000000001 110.323 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.21 -103.83 0.71 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.747 -0.661 . . . . 14.220000000000001 112.196 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -132.8 151.23 52.05 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.954 -0.387 . . . . 16.629999999999999 109.954 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.49 134.65 34.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.305 -0.407 . . . . 18.329999999999998 110.898 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.9 t -98.5 115.83 29.4 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.594 -0.521 . . . . 19.620000000000001 109.594 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.892 -0.575 . . . . 21.170000000000002 110.21 -179.873 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.579 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-N19 108.577 0.972 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.402 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 O4'-C1'-N19 109.384 1.98 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.419 " C2'" ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.244 1.805 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.419 ' H72' " C2'" ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O3'-P-O5' 100.775 -1.697 . . . . 5.9699999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-N19 108.919 1.399 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 109.52 2.15 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-N19 109.623 2.279 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.447 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-N19 109.371 1.963 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.447 ' H72' " C2'" ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O3'-P-O5' 101.287 -1.428 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.445 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-N19 108.818 1.272 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.744 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.422 -1.112 0 O4'-C1'-N19 109.946 2.682 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.406 H2'' ' OP2' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O3'-P-O5' 99.366 -2.439 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.431 " C2'" ' H72' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O3'-P-O5' 99.486 -2.376 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.431 ' H72' " C2'" ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 O3'-P-O5' 100.719 -1.727 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-N19 109.259 1.824 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O3'-P-O5' 100.456 -1.865 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-N19 108.921 1.401 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 N19-C1'-C2' 116.052 1.158 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.457 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 O5'-C5'-C4' 111.441 0.887 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.565 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.421 -1.189 0 O4'-C1'-N19 109.621 2.276 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.51 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C1'-N19 109.748 2.435 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.489 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 P--OP1 1.495 0.616 0 O3'-P-O5' 99.158 -2.548 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . 0.424 H2'' ' H8 ' ' D' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-N19 108.691 1.114 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . 0.424 ' H8 ' H2'' ' D' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C1'-N19 109.647 2.309 . . . . 7.9699999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-N19 109.73 2.412 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 O4'-C1'-N19 109.18 1.725 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.416 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O3'-P-O5' 100.97 -1.595 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . 0.497 ' C8 ' ' H72' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O4'-C1'-N19 108.969 1.462 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . 0.497 ' H72' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-N19 109.901 2.626 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-N19 109.56 2.2 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O3'-P-O5' 100.283 -1.956 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 O4'-C1'-N19 109.142 1.678 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-N19 109.236 1.795 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-N19 109.261 1.826 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-N19 108.821 1.276 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 107.142 0.948 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.372 0.13 . . . . 8.1099999999999994 110.835 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -109.21 128.5 25.32 Favored Pre-proline 0 C--O 1.232 0.147 0 CA-C-O 120.529 0.204 . . . . 7.29 110.837 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -84.18 -155.49 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.836 2.358 . . . . 4.3700000000000001 111.703 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.695 HG13 ' HB2' ' A' ' 8' ' ' ASP . 57.5 t -115.1 144.56 22.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.744 0.783 . . . . 3.4500000000000002 111.321 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p -113.85 163.95 14.4 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.761 -1.57 . . . . 3.5499999999999998 106.761 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.647 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 2.5 mt -59.79 -24.4 64.09 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 119.427 -0.909 . . . . 2.8500000000000001 110.889 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -65.08 -38.61 91.33 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.35 -0.841 . . . . 4.3899999999999997 110.465 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.695 ' HB2' HG13 ' A' ' 4' ' ' VAL . 27.8 m-20 -64.86 -45.99 83.74 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 114.107 -1.406 . . . . 4.1299999999999999 110.245 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 41' ' ' ALA . 94.4 t -68.39 -40.67 82.69 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-O 121.504 0.669 . . . . 2.9100000000000001 109.405 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.647 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.77 -48.35 79.91 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.541 -1.209 . . . . 3.1400000000000001 111.338 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -66.81 -49.66 65.08 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.803 -0.635 . . . . 5.2400000000000002 109.563 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.793 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 58.6 t80 -61.54 -27.53 68.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.036 -0.983 . . . . 3.8199999999999998 111.75 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.473 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.81 -26.95 29.14 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.693 0.759 . . . . 2.8700000000000001 109.608 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.67 34.05 9.55 Favored Glycine 0 N--CA 1.437 -1.281 0 CA-C-N 114.576 -1.193 . . . . 3.2799999999999998 110.768 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.707 HG11 HG23 ' A' ' 34' ' ' THR . 4.4 m -138.72 145.52 27.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.379 -0.91 . . . . 3.3900000000000001 109.867 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 m -55.93 147.52 19.34 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.506 0.669 . . . . 4.3399999999999999 110.441 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.647 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 76.7 t80 -49.92 -50.54 45.94 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.717 -1.129 . . . . 3.71 111.736 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.76 -25.3 64.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.215 -0.902 . . . . 5.5 111.832 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -68.7 -61.38 1.84 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.431 -0.35 . . . . 3.6499999999999999 110.573 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.647 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -68.89 -29.47 43.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.166 -0.47 . . . . 2.8500000000000001 111.498 -179.386 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.492 ' HA ' HD13 ' A' ' 6' ' ' LEU . 48.3 t -59.22 -40.96 87.46 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.046 -0.724 . . . . 3.1899999999999999 109.046 177.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -30.4 67.45 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.379 -0.828 . . . . 4.4400000000000004 108.82 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.124 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.8 t -67.59 -51.03 55.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.807 -1.088 . . . . 2.9100000000000001 110.983 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.66 -21.55 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.179 -0.918 . . . . 2.7200000000000002 111.956 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -111.37 -11.51 14.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.316 0.858 . . . . 3.6800000000000002 113.316 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -161.21 -82.99 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.982 0.42 . . . . 6.0800000000000001 111.832 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.124 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 64.16 37.89 8.61 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.242 -0.89 . . . . 4.6299999999999999 111.077 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -5.3 47.86 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.555 -0.748 . . . . 5.0899999999999999 110.751 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.16 101.65 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.029 -1.1 . . . . 5.7999999999999998 108.029 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.668 HG23 ' OP2' ' C' ' 3' ' ' ' DA' . 7.7 p -174.8 162.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.794 -0.639 . . . . 4.2300000000000004 109.549 -177.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 30' ' ' VAL . 46.7 m -75.09 158.86 32.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.242 0.544 . . . . 3.6600000000000001 111.556 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -63.02 -62.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.213 -0.903 . . . . 3.2799999999999998 111.832 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -50.67 -32.75 20.12 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.573 0.545 . . . . 4.5899999999999999 112.394 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.707 HG23 HG11 ' A' ' 15' ' ' VAL . 9.5 m -64.12 -47.31 80.45 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 116.711 -0.222 . . . . 2.8599999999999999 111.318 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.516 ' O ' HG22 ' A' ' 38' ' ' VAL . 22.4 mtm180 -65.54 -37.84 87.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.377 0.608 . . . . 4.1600000000000001 109.433 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 29.2 mt-10 -68.37 -30.29 69.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.096 -0.956 . . . . 3.5499999999999998 110.324 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -76.08 -45.91 31.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 2.8399999999999999 110.171 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.945 HG21 HG11 ' A' ' 23' ' ' VAL . 3.1 m -62.71 -44.59 99.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 108.791 -0.818 . . . . 2.2599999999999998 108.791 178.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 1.5 mt-10 -62.26 -43.22 99.33 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.528 -0.76 . . . . 3.27 110.119 178.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.09 62.03 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.781 -0.822 . . . . 2.8599999999999999 108.781 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.793 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -53.06 -51.45 61.73 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.235 -0.893 . . . . 2.8900000000000001 112.779 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.0 ptp -64.53 -31.84 73.23 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.882 -0.327 . . . . 2.8799999999999999 110.41 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.54 -43.38 69.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.016 0.436 . . . . 3.6000000000000001 110.934 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.531 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 12.2 mm-40 -69.22 -44.01 72.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.802 -0.635 . . . . 4.0899999999999999 110.741 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.2 mt -80.94 0.53 34.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.535 -0.757 . . . . 3.71 110.814 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 8.1 t30 74.63 -47.56 0.63 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.402 0.681 . . . . 4.1799999999999997 110.605 -179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.631 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 5.6 t80 41.65 77.81 0.05 Allowed 'General case' 0 N--CA 1.466 0.356 0 O-C-N 124.027 0.829 . . . . 3.1000000000000001 111.76 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 48' ' ' ILE . 8.9 tp -48.92 107.76 0.83 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 115.116 -0.947 . . . . 3.7000000000000002 112.064 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -95.75 -174.59 0.29 Allowed 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 123.152 2.568 . . . . 3.6000000000000001 112.457 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -133.75 -118.64 0.19 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.039 -0.528 . . . . 5.1399999999999997 109.789 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.47 81.72 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.642 0.258 . . . . 9.0 110.745 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.66 -35.6 81.24 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 116.345 -0.388 . . . . 5.8700000000000001 110.607 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -172.68 -176.93 1.59 Allowed 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.956 -0.566 . . . . 7.9500000000000002 110.599 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.441 ' C ' ' H ' ' A' ' 56' ' ' LEU . 2.6 mm-40 -166.61 176.64 7.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.886 -0.783 . . . . 10.550000000000001 108.886 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.428 HE21 ' HB2' ' A' ' 55' ' ' GLN . 4.4 mt-30 70.22 -10.15 0.68 Allowed 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.784 0.678 . . . . 13.16 111.021 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.441 ' H ' ' C ' ' A' ' 54' ' ' GLN . 37.5 tp -74.79 -62.29 1.59 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.027 -0.533 . . . . 12.140000000000001 111.241 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.67 -173.08 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 14.140000000000001 110.338 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.79 -147.4 18.05 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.351 -0.7 . . . . 16.039999999999999 111.351 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -78.76 -15.37 58.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.38 0.609 . . . . 17.800000000000001 110.094 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -139.82 172.89 12.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.282 -0.872 . . . . 19.609999999999999 109.088 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -25.7 62.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.09 0.471 . . . . 20.57 110.59 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.893 -0.594 . . . . 21.890000000000001 109.966 179.674 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.505 0.193 . . . . 10.35 110.56 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.538 ' HG2' ' HB2' ' B' ' 51' ' ' ARG . 43.4 mtmt 65.33 72.75 0.45 Allowed Pre-proline 0 N--CA 1.463 0.221 0 CA-C-N 115.84 -0.618 . . . . 8.3300000000000001 110.377 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.59 -58.73 0.06 OUTLIER 'Trans proline' 0 CA--C 1.514 -0.511 0 C-N-CA 123.427 2.752 . . . . 4.4900000000000002 112.798 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.658 HG13 ' HB2' ' B' ' 8' ' ' ASP . 39.8 t -130.6 144.97 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 CA-C-O 121.953 0.882 . . . . 3.1600000000000001 111.361 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -118.28 159.82 22.7 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 104.951 -2.24 . . . . 3.1699999999999999 104.951 175.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 1.029 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.5 mt -60.42 -20.58 60.23 Favored 'General case' 0 C--N 1.307 -1.256 0 C-N-CA 119.003 -1.079 . . . . 2.5600000000000001 109.78 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.635 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -64.17 -36.53 84.35 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.995 -1.002 . . . . 4.2800000000000002 110.127 177.456 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.658 ' HB2' HG13 ' B' ' 4' ' ' VAL . 9.7 m-20 -64.97 -44.69 88.53 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 114.738 -1.119 . . . . 3.77 109.447 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' B' ' 42' ' ' MET . 72.9 t -67.84 -41.83 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.946 0 CA-C-N 114.985 -1.007 . . . . 2.6800000000000002 108.9 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.539 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.48 -48.08 80.16 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.027 -1.442 . . . . 3.1299999999999999 111.665 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.15 -49.14 73.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.63 0.729 . . . . 5.21 109.218 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.765 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 43.2 t80 -60.82 -28.82 69.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.558 -1.201 . . . . 3.6200000000000001 111.589 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.38 -25.14 27.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.622 0.725 . . . . 2.9399999999999999 109.337 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.36 31.46 13.79 Favored Glycine 0 CA--C 1.501 -0.798 0 CA-C-N 114.366 -1.288 . . . . 3.6600000000000001 111.809 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.614 ' HB ' HG21 ' B' ' 19' ' ' THR . 6.6 m -139.85 151.8 22.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.784 -0.708 . . . . 3.5299999999999998 111.578 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 27.2 p -53.21 160.98 0.97 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.399 0.545 . . . . 4.3799999999999999 110.063 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.675 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 69.8 t80 -52.1 -59.44 4.37 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.074 -0.966 . . . . 3.6200000000000001 109.689 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.799 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -73.09 13.06 0.45 Allowed 'General case' 0 C--O 1.245 0.858 0 CA-C-N 114.824 -1.08 . . . . 5.04 113.369 178.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.614 HG21 ' HB ' ' B' ' 15' ' ' VAL . 55.2 m -79.07 -61.6 1.96 Allowed 'General case' 0 N--CA 1.398 -3.047 0 N-CA-C 100.695 -3.817 . . . . 3.7799999999999998 100.695 170.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.3 m -77.05 -33.14 20.09 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 CA-C-N 112.019 -2.355 . . . . 2.9300000000000002 113.08 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.799 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 66.1 m -63.13 -35.32 79.88 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 120.693 -1.254 . . . . 3.23 109.175 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.53 -31.74 72.65 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.852 -1.166 . . . . 5.4000000000000004 107.852 177.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.99 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 65.9 t -66.11 -51.63 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 114.013 -1.449 . . . . 3.1800000000000002 109.135 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.6 t -66.39 -21.49 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.712 -1.131 . . . . 3.1200000000000001 112.219 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.518 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 0.7 OUTLIER -87.41 -12.33 46.54 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.009 -0.677 . . . . 4.0700000000000003 111.762 -177.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.518 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 11.0 pt20 151.44 -35.63 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.421 1.088 . . . . 6.0300000000000002 111.196 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.99 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 54.13 57.13 6.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.682 -0.69 . . . . 4.4800000000000004 112.262 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -17.77 62.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.159 0.504 . . . . 5.6900000000000004 110.936 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.702 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 25.9 m170 -136.69 90.49 2.55 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.829 -0.623 . . . . 6.5300000000000002 110.01 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.636 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 16.5 m -151.69 172.9 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 O-C-N 123.198 0.311 . . . . 4.4299999999999997 111.742 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -106.77 177.66 4.79 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.873 -0.603 . . . . 3.96 110.335 177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -69.21 -68.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.864 0.69 . . . . 3.3100000000000001 112.864 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -46.7 -39.06 10.8 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.527 0.517 . . . . 4.9000000000000004 112.229 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.725 ' O ' HG13 ' B' ' 38' ' ' VAL . 7.7 m -57.16 -53.43 58.22 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 111.903 0.334 . . . . 3.1299999999999999 111.903 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 25.3 mtm180 -60.68 -40.31 91.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.876 0.369 . . . . 3.9100000000000001 110.717 -178.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 30.3 mt-10 -67.05 -34.7 78.26 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.43 -0.805 . . . . 2.9399999999999999 111.331 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -77.21 -42.57 36.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.184 -0.462 . . . . 3.1000000000000001 111.072 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -68.73 -45.26 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.798 -0.445 . . . . 2.3300000000000001 109.798 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.554 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.7 OUTLIER -58.99 -39.44 81.81 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.315 -0.624 . . . . 3.0 109.315 177.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.64 -54.98 27.27 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.168 -0.678 . . . . 2.6499999999999999 109.168 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.765 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.95 -51.03 56.52 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.482 -0.781 . . . . 2.6800000000000002 112.853 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.492 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.6 ptp -64.54 -32.15 73.67 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 121.187 -0.205 . . . . 2.7400000000000002 110.673 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.63 -43.32 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 3.4300000000000002 110.911 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.424 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.6 OUTLIER -68.21 -43.85 77.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.746 -0.661 . . . . 3.8100000000000001 110.792 -179.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.5 mt -80.76 0.48 34.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.532 -0.758 . . . . 3.4700000000000002 110.973 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.472 HD21 HD13 ' B' ' 48' ' ' ILE . 7.2 t30 74.04 -51.07 0.69 Allowed 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.797 0.686 . . . . 4.3899999999999997 109.855 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 1.029 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 4.5 t80 51.08 85.07 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.177 -0.92 . . . . 2.9700000000000002 112.167 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' B' ' 48' ' ' ILE . 3.3 tp -86.83 130.09 49.93 Favored Pre-proline 0 N--CA 1.446 -0.642 0 CA-C-N 115.494 -0.776 . . . . 3.9700000000000002 109.858 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -80.59 55.22 5.58 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.627 2.218 . . . . 3.6600000000000001 112.525 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -160.98 105.16 1.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.233 0.54 . . . . 5.1100000000000003 110.423 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.538 ' HB2' ' HG2' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -130.99 93.34 3.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.416 -0.811 . . . . 8.3200000000000003 109.294 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 5.1 t -110.87 -126.28 0.27 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.066 -0.97 . . . . 6.1200000000000001 110.015 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.31 179.86 7.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.854 -0.157 . . . . 7.4400000000000004 110.83 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -146.59 -59.99 0.3 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.829 0.347 . . . . 10.52 110.711 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -139.44 53.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.005 0.431 . . . . 12.48 110.158 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.536 ' HG ' ' H ' ' B' ' 57' ' ' ALA . 9.4 tp 63.23 -154.03 0.33 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.347 -0.842 . . . . 11.92 110.635 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.536 ' H ' ' HG ' ' B' ' 56' ' ' LEU . . . -164.1 176.25 9.47 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.079 -0.341 . . . . 12.460000000000001 110.079 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . 0.614 ' HA3' ' OP1' ' D' ' 14' ' ' ' DT' . . . 90.55 -67.73 2.46 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.895 -0.669 . . . . 14.220000000000001 112.447 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -80.45 52.06 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.505 0.669 . . . . 16.629999999999999 110.226 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.43 ' HG2' ' H ' ' B' ' 60' ' ' GLN . 1.3 pt20 -95.61 -4.06 45.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.495 -0.775 . . . . 18.329999999999998 110.918 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 25.3 t -156.41 33.29 0.32 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.107 -0.497 . . . . 19.620000000000001 109.953 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 29.1 mt . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.663 -0.684 . . . . 21.170000000000002 110.441 -179.273 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.646 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O4'-C1'-N19 108.829 1.286 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-N19 109.371 1.964 . . . . 6.3700000000000001 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.668 ' OP2' HG23 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-N19 109.147 1.684 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-N19 109.141 1.676 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O3'-P-O5' 101.371 -1.384 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-N19 109.321 1.902 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.016 0 O4'-C1'-N19 109.469 2.086 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O3'-P-O5' 100.873 -1.646 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.426 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O3'-P-O5' 100.634 -1.771 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.444 ' C8 ' ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O3'-P-O5' 101.756 -1.181 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.444 ' H72' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 O4'-C1'-N19 109.898 2.622 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.447 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O3'-P-O5' 99.378 -2.432 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.447 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.42 -0.853 0 O3'-P-O5' 99.99 -2.111 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.42 ' H72' " C2'" ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.42 -1.228 0 O3'-P-O5' 100.623 -1.777 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.102 0 O3'-P-O5' 100.431 -1.878 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O4'-C1'-N19 109.367 1.959 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-N19 108.899 1.374 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 N19-C1'-C2' 115.808 1.005 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.68 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.606 0 O4'-C1'-N19 108.562 0.953 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.702 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-N19 109.44 2.049 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.636 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O4'-C1'-N19 110.047 2.809 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.489 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.522 -0.632 0 O3'-P-O5' 99.461 -2.389 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 O4'-C1'-N19 108.928 1.41 . . . . 7.4699999999999998 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C1'-N19 109.363 1.953 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 109.344 1.93 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.404 2.005 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O3'-P-O5' 100.484 -1.851 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-N19 109.122 1.652 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.42 -0.856 0 O4'-C1'-N19 109.843 2.554 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.09 0 O4'-C1'-N19 109.395 1.993 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O3'-P-O5' 100.219 -1.99 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.614 ' OP1' ' HA3' ' B' ' 58' ' ' GLY . . . . . . . . 0 O5'--C5' 1.424 -1.011 0 O3'-P-O5' 100.45 -1.868 . . . . 7.2400000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 109.208 1.76 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-N19 109.256 1.82 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O3'-P-O5' 101.597 -1.265 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C1'-C2' 107.097 0.907 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.499 ' HB3' ' H ' ' A' ' 2' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 110.218 -0.29 . . . . 8.1099999999999994 110.218 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.598 ' HB2' ' HD3' ' A' ' 3' ' ' PRO . 80.8 mttt -57.83 -49.95 90.82 Favored Pre-proline 0 CA--C 1.543 0.708 0 N-CA-C 112.023 0.379 . . . . 7.29 112.023 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.598 ' HD3' ' HB2' ' A' ' 2' ' ' LYS . 52.3 Cg_exo -60.32 136.21 66.73 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 122.123 1.882 . . . . 4.3700000000000001 112.991 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.686 HG13 ' HB2' ' A' ' 8' ' ' ASP . 54.3 t -136.53 150.15 27.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.08 -0.963 . . . . 3.4500000000000002 109.846 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 p -104.79 160.37 15.05 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.402 -1.332 . . . . 3.5499999999999998 107.402 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.718 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 3.3 mt -59.92 -25.64 65.31 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.185 -1.006 . . . . 2.8500000000000001 111.165 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -65.52 -37.46 86.84 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.99 0.9 . . . . 4.3899999999999997 110.158 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.686 ' HB2' HG13 ' A' ' 4' ' ' VAL . 36.5 m-20 -65.2 -45.16 85.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.805 -1.543 . . . . 4.1299999999999999 110.456 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 41' ' ' ALA . 91.7 t -68.78 -41.61 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 N-CA-C 109.112 -0.699 . . . . 2.9100000000000001 109.112 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.639 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.49 -46.99 83.09 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.356 -1.293 . . . . 3.1400000000000001 111.63 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -67.71 -48.97 65.01 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.887 -0.597 . . . . 5.2400000000000002 109.729 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.752 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.8 t80 -61.22 -30.07 70.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.109 -0.951 . . . . 3.8199999999999998 111.899 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.502 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -82.13 -27.42 32.79 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.757 0.789 . . . . 2.8700000000000001 109.781 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.55 34.52 9.25 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 114.611 -1.177 . . . . 3.2799999999999998 110.707 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.794 HG11 HG23 ' A' ' 34' ' ' THR . 4.7 m -138.65 147.22 25.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 114.314 -0.943 . . . . 3.3900000000000001 110.39 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.5 m -56.16 150.06 14.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.676 0.75 . . . . 4.3399999999999999 110.801 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.655 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 73.6 t80 -51.74 -50.62 60.25 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.643 -1.162 . . . . 3.71 112.657 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.493 HE22 " H2'" ' C' ' 4' ' ' ' DT' . 0.0 OUTLIER -63.69 -20.48 65.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.962 -0.563 . . . . 5.5 111.65 -178.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.0 m -69.07 -62.04 1.54 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.854 0.359 . . . . 3.6499999999999999 110.361 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.639 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.17 -29.05 41.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 2.8500000000000001 111.289 -179.381 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 t -59.38 -43.97 92.83 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.835 -0.802 . . . . 3.1899999999999999 108.835 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -69.19 -27.53 65.59 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.463 -0.789 . . . . 4.4400000000000004 109.057 179.038 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.065 HG11 HG21 ' A' ' 38' ' ' VAL . 55.5 t -65.92 -48.79 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 114.981 -1.009 . . . . 2.9100000000000001 109.656 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t -64.04 -21.5 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.494 0.664 . . . . 2.7200000000000002 110.173 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -95.02 0.19 54.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.843 -0.617 . . . . 3.6800000000000002 110.404 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 80.23 -54.74 0.36 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.549 1.139 . . . . 6.0800000000000001 110.031 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.25 -115.68 0.7 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.704 -0.68 . . . . 4.6299999999999999 112.624 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.4 t 179.93 -20.35 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.148 0.425 . . . . 5.0899999999999999 112.148 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.559 ' HA ' ' OP2' ' C' ' 2' ' ' ' DG' . 1.6 m-70 -124.95 92.36 3.63 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.569 -0.707 . . . . 5.7999999999999998 110.886 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.601 HG11 HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -144.52 135.02 20.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.647 -0.706 . . . . 4.2300000000000004 111.488 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 m -72.19 169.47 16.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.299 -0.41 . . . . 3.6600000000000001 111.533 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.588 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.1 -68.47 0.42 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.488 -0.778 . . . . 3.2799999999999998 111.174 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HA ' ' OE2' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -46.56 -49.83 18.2 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.76 0.662 . . . . 4.5899999999999999 111.954 -179.405 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.794 HG23 HG11 ' A' ' 15' ' ' VAL . 8.5 m -53.96 -46.03 71.51 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.359 -0.837 . . . . 2.8599999999999999 112.202 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 18.9 mtm180 -63.65 -37.38 87.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.27 -0.641 . . . . 4.1600000000000001 109.27 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 22.4 mt-10 -67.79 -36.17 79.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.214 -0.903 . . . . 3.5499999999999998 109.915 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -71.06 -46.27 62.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.746 -0.661 . . . . 2.8399999999999999 110.977 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.065 HG21 HG11 ' A' ' 23' ' ' VAL . 3.7 m -65.42 -47.03 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.783 -0.451 . . . . 2.2599999999999998 109.783 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.43 -39.85 94.68 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 109.313 -0.625 . . . . 3.27 109.313 178.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.2 -57.49 12.24 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 108.132 -1.062 . . . . 2.8599999999999999 108.132 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.752 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.37 -51.2 47.97 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.783 -0.644 . . . . 2.8900000000000001 112.648 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.414 ' HG2' ' HA ' ' A' ' 39' ' ' GLU . 17.0 ptp -64.99 -32.42 74.13 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.59 -0.444 . . . . 2.8799999999999999 110.272 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.88 -45.64 60.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.986 0.422 . . . . 3.6000000000000001 111.015 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -42.86 84.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.814 -0.63 . . . . 4.0899999999999999 110.186 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.7 mt -81.31 -0.14 39.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 3.71 110.58 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 75.04 -52.47 0.67 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.541 0.737 . . . . 4.1799999999999997 110.692 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.718 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 4.9 t80 45.14 69.99 0.39 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.694 0.759 . . . . 3.1000000000000001 111.601 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.026 HG23 ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -86.09 -47.73 0.56 Allowed Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 115.442 -0.799 . . . . 3.7000000000000002 112.858 -178.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.026 ' HD3' HG23 ' A' ' 48' ' ' ILE . 83.8 Cg_endo -102.6 124.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.379 2.053 . . . . 3.6000000000000001 113.898 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -80.62 -23.66 39.6 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.799 -0.815 . . . . 5.1399999999999997 108.799 177.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.8 ttp180 170.83 -43.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.201 -1.363 . . . . 9.0 107.935 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.1 t -175.69 -113.25 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.906 -1.043 . . . . 5.8700000000000001 109.267 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 56' ' ' LEU . . . -145.15 82.3 1.66 Allowed 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.303 0.573 . . . . 7.9500000000000002 111.123 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.44 ' HG2' ' HG2' ' A' ' 55' ' ' GLN . 8.4 pt20 -91.22 -15.34 29.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.506 -0.77 . . . . 10.550000000000001 110.784 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.44 ' HG2' ' HG2' ' A' ' 54' ' ' GLN . 5.3 pt20 -147.01 22.74 1.22 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.588 -0.733 . . . . 13.16 110.367 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.512 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 96.7 mt -107.44 106.66 17.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.94 -0.573 . . . . 12.140000000000001 110.389 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.42 171.46 7.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 14.140000000000001 110.858 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.16 25.58 36.63 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.988 -0.625 . . . . 16.039999999999999 112.352 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -127.9 124.26 36.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.876 0.37 . . . . 17.800000000000001 110.875 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -98.2 132.06 44.03 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.639 -0.504 . . . . 19.609999999999999 109.639 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.4 m -153.21 -65.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.95 0.405 . . . . 20.57 110.334 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 21.890000000000001 109.977 179.889 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.889 0.376 . . . . 10.35 110.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -158.05 93.54 2.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.966 -0.561 . . . . 8.3300000000000001 109.807 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -66.11 106.53 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.747 2.298 . . . . 4.4900000000000002 113.42 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.555 HG13 ' CB ' ' B' ' 8' ' ' ASP . 53.2 t -69.71 140.92 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 CA-C-N 115.331 -0.85 . . . . 3.1600000000000001 110.227 177.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.56 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.3 OUTLIER -88.69 146.89 24.79 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 106.914 -1.513 . . . . 3.1699999999999999 106.914 177.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.775 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.7 mt -59.84 -23.7 63.58 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 118.81 -1.156 . . . . 2.5600000000000001 109.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -36.4 83.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.578 -1.192 . . . . 4.2800000000000002 109.297 176.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' B' ' 5' ' ' THR . 0.7 OUTLIER -65.79 -44.1 86.72 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 113.787 -1.552 . . . . 3.77 109.715 -178.245 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' B' ' 42' ' ' MET . 84.8 t -68.75 -43.16 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 CA-C-N 115.351 -0.84 . . . . 2.6800000000000002 108.851 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.545 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -57.38 -46.88 82.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.23 -1.35 . . . . 3.1299999999999999 111.413 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.08 -49.63 66.91 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.845 -0.616 . . . . 5.21 109.582 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.841 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 43.9 t80 -60.26 -27.02 66.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.046 -0.979 . . . . 3.6200000000000001 111.263 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.77 -27.56 22.25 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.513 0.673 . . . . 2.9399999999999999 109.52 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.92 34.31 10.1 Favored Glycine 0 CA--C 1.496 -1.103 0 CA-C-N 114.878 -1.056 . . . . 3.6600000000000001 111.406 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.627 ' HB ' HG21 ' B' ' 19' ' ' THR . 7.0 m -139.67 149.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 114.455 -0.872 . . . . 3.5299999999999998 110.892 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' B' ' 19' ' ' THR . 2.7 m -48.47 161.73 0.12 Allowed 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.73 0.776 . . . . 4.3799999999999999 111.04 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.775 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 78.3 t80 -59.78 -65.13 0.73 Allowed 'General case' 0 C--O 1.251 1.146 0 CA-C-O 117.854 -1.07 . . . . 3.6200000000000001 109.787 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.989 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -64.02 10.54 0.05 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 119.589 -0.844 . . . . 5.04 111.549 171.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.824 HG23 HH21 ' B' ' 22' ' ' ARG . 28.6 m -73.22 -61.15 1.92 Allowed 'General case' 0 N--CA 1.39 -3.433 0 N-CA-C 101.768 -3.419 . . . . 3.7799999999999998 101.768 170.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.798 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.6 m -76.59 -32.82 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 113.88 -1.509 . . . . 2.9300000000000002 113.658 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.989 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 41.7 t -61.18 -38.13 85.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.019 0.437 . . . . 3.23 110.654 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.824 HH21 HG23 ' B' ' 19' ' ' THR . 0.0 OUTLIER -65.27 -31.59 72.81 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.213 -1.032 . . . . 5.4000000000000004 108.213 177.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.798 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 54.9 t -65.51 -51.59 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 CA-C-N 114.038 -1.437 . . . . 3.1800000000000002 108.155 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 98.4 t -68.58 -20.39 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 114.682 -1.144 . . . . 3.1200000000000001 112.573 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 5.2 m-80 -102.95 16.12 27.5 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.021 -0.424 . . . . 4.0700000000000003 112.052 -176.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.506 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 15.8 mm100 88.99 81.66 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.68 0 O-C-N 124.398 1.061 . . . . 6.0300000000000002 108.401 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.798 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -76.69 -74.89 0.22 Allowed 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.301 -1.318 . . . . 4.4800000000000004 112.079 -177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 38.9 m 65.65 -9.15 0.26 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.198 0.599 . . . . 5.6900000000000004 111.392 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.503 ' H ' ' C ' ' B' ' 27' ' ' ALA . 29.9 m170 -134.55 91.27 2.76 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 108.226 -1.027 . . . . 6.5300000000000002 108.226 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.612 ' HA ' " H3'" ' D' ' 2' ' ' ' DG' . 14.8 p -175.67 165.61 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 4.4299999999999997 110.455 -177.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.46 ' N ' HG22 ' B' ' 30' ' ' VAL . 0.3 OUTLIER -81.12 171.77 14.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.224 0.535 . . . . 3.96 112.001 -179.187 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.88 -67.52 0.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.199 -0.91 . . . . 3.3100000000000001 113.264 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.472 ' HB2' ' HE3' ' B' ' 33' ' ' LYS . 6.7 ptmt -51.29 -29.18 14.01 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.545 0.572 . . . . 4.9000000000000004 112.545 -178.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.738 ' O ' HG13 ' B' ' 38' ' ' VAL . 87.4 m -62.54 -49.73 74.17 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 120.704 -0.398 . . . . 3.1299999999999999 110.485 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.545 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 49.8 mtm-85 -65.57 -37.68 87.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 3.9100000000000001 110.206 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.52 -29.75 69.91 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.47 -0.786 . . . . 2.9399999999999999 110.741 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -82.33 -42.93 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.541 . . . . 3.1000000000000001 110.812 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.798 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.3 m -68.12 -45.09 83.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.769 -0.456 . . . . 2.3300000000000001 109.769 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.545 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 4.0 mt-10 -60.69 -42.07 96.42 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.273 -0.64 . . . . 3.0 109.273 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.727 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.78 -53.93 49.25 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.904 -0.776 . . . . 2.6499999999999999 108.904 177.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.841 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.41 -51.67 52.74 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.107 0.78 . . . . 2.6800000000000002 113.107 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.597 ' HB2' ' HB3' ' B' ' 47' ' ' TYR . 16.7 ptp -64.45 -33.14 75.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.729 0.299 . . . . 2.7400000000000002 110.516 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 -42.95 68.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.063 0.459 . . . . 3.4300000000000002 111.226 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.727 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.7 mm-40 -68.19 -44.08 76.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.806 -0.633 . . . . 3.8100000000000001 111.112 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 10.7 mt -79.28 -1.48 36.86 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.529 -0.76 . . . . 3.4700000000000002 110.991 -179.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 t30 58.05 45.47 17.79 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.884 0.849 . . . . 4.3899999999999997 109.986 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.707 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 20.1 t80 -63.09 124.15 20.42 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.48 -1.237 . . . . 2.9700000000000002 111.017 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.479 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 0.3 OUTLIER -63.11 156.13 69.75 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 114.996 -1.002 . . . . 3.9700000000000002 110.767 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' B' ' 48' ' ' ILE . 4.8 Cg_endo -47.94 -53.0 7.25 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.397 2.731 . . . . 3.6600000000000001 113.449 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 62.8 t30 51.26 66.8 1.08 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.531 0.681 . . . . 5.1100000000000003 110.918 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 51' ' ' ARG . 3.7 mmt85 -144.3 94.31 2.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.687 -0.688 . . . . 8.3200000000000003 110.204 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 3.8 m -117.79 -135.31 0.34 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 116.256 -0.429 . . . . 6.1200000000000001 109.911 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 179.16 -179.86 0.4 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.641 0.588 . . . . 7.4400000000000004 110.481 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.414 ' HG3' ' H ' ' B' ' 56' ' ' LEU . 6.6 pt20 -151.05 -164.58 2.04 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.997 -0.742 . . . . 10.52 108.997 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -97.24 22.74 8.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.195 0.521 . . . . 12.48 110.486 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.414 ' H ' ' HG3' ' B' ' 54' ' ' GLN . 34.1 mt -147.69 -170.88 3.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.518 -0.764 . . . . 11.92 109.49 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.14 -45.31 7.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.851 0.358 . . . . 12.460000000000001 110.791 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.66 -151.64 6.03 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.755 -0.736 . . . . 14.220000000000001 111.877 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.18 125.35 40.64 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.29 -0.263 . . . . 16.629999999999999 110.29 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -68.7 167.72 14.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.412 -0.358 . . . . 18.329999999999998 110.192 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.469 ' HB3' " H4'" ' D' ' 8' ' ' ' DA' . 3.8 m -137.53 38.38 2.45 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.745 -0.465 . . . . 19.620000000000001 109.745 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 16.5 tp . . . . . 0 C--O 1.251 1.149 0 CA-C-O 117.645 -1.169 . . . . 21.170000000000002 109.613 -179.161 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.755 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O4'-C1'-N19 108.802 1.253 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.559 ' OP2' ' HA ' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O4'-C1'-N19 109.265 1.832 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.415 ' OP2' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 P-O5'-C5' 118.55 -1.469 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.493 " H2'" HE22 ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-N19 109.166 1.708 . . . . 5.9699999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-N19 108.983 1.478 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-N19 109.506 2.132 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-N19 109.561 2.202 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.414 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.005 0 O4'-C1'-N19 109.189 1.737 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.421 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O3'-P-O5' 100.842 -1.662 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.421 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 108.941 1.426 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.524 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-N19 109.922 2.653 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O3'-P-O5' 99.739 -2.243 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O3'-P-O5' 99.891 -2.163 . . . . 6.0800000000000001 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.062 0 O3'-P-O5' 100.548 -1.817 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.094 0 O4'-C1'-N19 109.165 1.707 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O3'-P-O5' 100.647 -1.765 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O3'-P-O5' 101.432 -1.352 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 N19-C1'-C2' 115.861 1.038 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.508 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 O4'-C1'-N19 108.926 1.408 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.612 " H3'" ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 O4'-C1'-N19 109.45 2.063 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.52 " H2'" HH12 ' B' ' 22' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 O4'-C1'-N19 109.731 2.414 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.497 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.523 -0.491 0 O3'-P-O5' 99.17 -2.542 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . 0.438 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-N19 108.716 1.145 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O4'-C1'-N19 109.606 2.257 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-N19 109.514 2.142 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.469 " H4'" ' HB3' ' B' ' 61' ' ' SER . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-N19 109.302 1.877 . . . . 7.7699999999999996 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O3'-P-O5' 100.528 -1.827 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-N19 108.964 1.454 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 109.871 2.589 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-N19 109.463 2.079 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O3'-P-O5' 100.183 -2.009 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O3'-P-O5' 100.667 -1.754 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-N19 109.165 1.706 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C1'-N19 109.179 1.723 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O3'-P-O5' 101.597 -1.265 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 N19-C1'-C2' 115.784 0.99 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.537 ' H2 ' ' C ' ' B' ' 62' ' ' LEU . 4.3 mpp? . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.533 0.206 . . . . 8.1099999999999994 110.686 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 24.9 tptt -166.03 131.82 1.94 Allowed Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 110.016 -0.364 . . . . 7.29 110.016 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 20.2 Cg_exo -67.25 102.87 0.71 Allowed 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.846 2.364 . . . . 4.3700000000000001 113.009 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.741 HG13 ' HB2' ' A' ' 8' ' ' ASP . 73.3 t -68.72 143.24 15.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.907 -1.042 . . . . 3.4500000000000002 110.586 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.5 p -102.6 160.91 14.15 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.872 -1.529 . . . . 3.5499999999999998 106.872 177.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.836 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 3.6 mt -59.82 -24.52 64.24 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.464 -0.894 . . . . 2.8500000000000001 111.127 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -64.94 -37.39 87.48 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.973 0.892 . . . . 4.3899999999999997 110.173 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.741 ' HB2' HG13 ' A' ' 4' ' ' VAL . 26.2 m-20 -65.13 -46.04 82.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.792 -1.549 . . . . 4.1299999999999999 110.058 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 41' ' ' ALA . 93.0 t -69.15 -41.79 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-O 121.682 0.753 . . . . 2.9100000000000001 109.501 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.59 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.55 -46.69 83.6 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.536 -1.211 . . . . 3.1400000000000001 111.622 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.45 -49.36 63.99 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.392 0.615 . . . . 5.2400000000000002 109.812 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.837 ' HD2' ' HA ' ' A' ' 41' ' ' ALA . 48.1 t80 -61.4 -27.38 68.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.764 -1.107 . . . . 3.8199999999999998 111.739 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.07 -28.0 25.93 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.673 0.749 . . . . 2.8700000000000001 110.026 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.77 35.71 8.24 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 114.932 -1.031 . . . . 3.2799999999999998 110.808 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.57 HG11 HG23 ' A' ' 34' ' ' THR . 3.8 m -138.71 146.44 26.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.332 -0.934 . . . . 3.3900000000000001 109.674 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.8 p -57.0 145.32 30.8 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.888 -0.725 . . . . 4.3399999999999999 109.994 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.638 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 67.2 t80 -45.84 -50.5 14.18 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.13 -0.941 . . . . 3.71 111.978 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' NE2' ' N7 ' ' C' ' 5' ' ' ' DA' . 0.0 OUTLIER -61.85 -22.37 65.45 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.846 -1.07 . . . . 5.5 112.41 -179.111 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 23' ' ' VAL . 89.8 m -69.39 -61.24 1.87 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.977 0.418 . . . . 3.6499999999999999 110.109 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.59 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -68.98 -28.95 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.786 -0.643 . . . . 2.8500000000000001 111.192 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.546 ' HA ' HD13 ' A' ' 6' ' ' LEU . 33.2 t -59.59 -39.79 85.31 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.94 -0.763 . . . . 3.1899999999999999 108.94 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -31.44 68.69 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.687 -0.857 . . . . 4.4400000000000004 108.687 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.047 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 70.3 t -66.59 -49.58 73.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.685 -1.143 . . . . 2.9100000000000001 110.197 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -65.43 -21.85 29.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.096 -0.957 . . . . 2.7200000000000002 112.409 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 25.5 m-80 -110.18 -11.16 14.61 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.493 0.923 . . . . 3.6800000000000002 113.493 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 4.9 mm100 -165.66 -75.44 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.873 0.368 . . . . 6.0800000000000001 111.861 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.047 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 61.98 41.45 11.21 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.229 -0.896 . . . . 4.6299999999999999 110.772 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -11.34 60.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.399 -0.819 . . . . 5.0899999999999999 111.614 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.6 101.38 1.83 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.619 -0.511 . . . . 5.7999999999999998 109.619 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.46 HG12 ' OP2' ' C' ' 3' ' ' ' DA' . 0.0 OUTLIER -156.7 156.62 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.02 -0.537 . . . . 4.2300000000000004 110.311 -179.307 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.492 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 46.1 m -70.52 166.61 20.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.955 0.407 . . . . 3.6600000000000001 111.175 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -64.86 -68.28 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.678 -0.692 . . . . 3.2799999999999998 112.076 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 37.4 pttt -53.4 -28.93 32.27 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.381 0.511 . . . . 4.5899999999999999 112.381 -178.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.687 ' O ' HG13 ' A' ' 38' ' ' VAL . 6.5 m -60.54 -48.59 81.08 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 121.065 -0.254 . . . . 2.8599999999999999 111.025 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -66.97 -34.38 77.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.299 -0.63 . . . . 4.1600000000000001 109.299 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 31.1 mt-10 -66.3 -34.56 78.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.643 -0.708 . . . . 3.5499999999999998 110.104 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 5.5 mtpp -77.03 -45.28 27.73 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.945 -0.57 . . . . 2.8399999999999999 110.627 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.979 HG21 HG11 ' A' ' 23' ' ' VAL . 3.8 m -63.15 -46.01 97.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.183 -0.673 . . . . 2.2599999999999998 109.183 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -62.11 -45.42 93.55 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.817 -0.629 . . . . 3.27 110.015 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.709 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -59.27 -54.41 47.16 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 108.734 -0.839 . . . . 2.8599999999999999 108.734 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.837 ' HA ' ' HD2' ' A' ' 12' ' ' TYR . . . -52.23 -51.77 56.33 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 112.995 0.739 . . . . 2.8900000000000001 112.995 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 18.8 ptp -65.3 -32.8 74.64 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.749 -0.38 . . . . 2.8799999999999999 110.329 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.62 -43.32 69.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 3.6000000000000001 111.398 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.709 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 3.9 mm-40 -69.13 -44.48 72.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.422 0.63 . . . . 4.0899999999999999 110.578 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 9.3 mt -81.13 1.07 33.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.472 -0.786 . . . . 3.71 110.918 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 24.9 t30 75.94 -57.51 0.57 Allowed 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.761 0.663 . . . . 4.1799999999999997 109.932 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.836 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 8.0 t80 52.84 100.74 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.983 0.802 . . . . 3.1000000000000001 112.527 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.614 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 2.7 pp -56.26 159.62 5.93 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.383 -0.826 . . . . 3.7000000000000002 111.984 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.614 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 41.1 Cg_endo -67.51 97.56 0.45 Allowed 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 123.008 2.472 . . . . 3.6000000000000001 113.183 -178.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -12.56 60.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.909 -0.587 . . . . 5.1399999999999997 110.107 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.521 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 61.3 ttp85 -160.37 -54.17 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.601 -0.727 . . . . 9.0 109.65 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.41 118.78 0.66 Allowed 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.488 -0.93 . . . . 5.8700000000000001 108.488 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' B' ' 55' ' ' GLN . . . -74.14 53.21 0.49 Allowed 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.949 -1.023 . . . . 7.9500000000000002 111.669 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -76.43 -35.87 58.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.634 -0.712 . . . . 10.550000000000001 110.015 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -77.74 -20.54 53.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.469 -0.787 . . . . 13.16 110.277 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.476 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 2.7 mm? -88.39 -64.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.743 -0.662 . . . . 12.140000000000001 110.52 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 55.68 -95.42 0.05 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.501 -0.772 . . . . 14.140000000000001 111.912 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.4 44.48 0.5 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.237 -0.745 . . . . 16.039999999999999 111.237 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -72.24 -21.77 61.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.701 0.286 . . . . 17.800000000000001 111.469 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -85.65 -61.83 1.67 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.197 0.523 . . . . 19.609999999999999 109.924 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.7 m -156.79 171.98 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.636 -0.711 . . . . 20.57 109.187 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 110.142 -0.318 . . . . 21.890000000000001 110.142 179.356 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 C--O 1.233 0.207 0 N-CA-C 109.833 -0.432 . . . . 10.35 109.833 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt 67.97 109.55 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.313 0 CA-C-N 114.782 -1.099 . . . . 8.3300000000000001 111.406 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.11 138.92 71.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.674 2.25 . . . . 4.4900000000000002 111.807 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.693 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 59.8 t -71.79 142.89 14.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 122.279 1.038 . . . . 3.1600000000000001 112.243 -178.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.2 p -108.57 158.98 17.08 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 105.995 -1.854 . . . . 3.1699999999999999 105.995 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.816 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 0.8 OUTLIER -61.07 -21.0 63.24 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 118.951 -1.099 . . . . 2.5600000000000001 108.77 177.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -41.38 99.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 113.555 -1.657 . . . . 4.2800000000000002 110.297 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.657 ' HB2' HG13 ' B' ' 4' ' ' VAL . 22.6 m-20 -65.91 -42.94 89.56 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 114.042 -1.435 . . . . 3.77 110.106 -178.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' B' ' 42' ' ' MET . 74.6 t -67.62 -41.25 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 115.085 -0.961 . . . . 2.6800000000000002 109.33 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.437 ' CB ' ' HA ' ' B' ' 17' ' ' TYR . . . -61.25 -47.51 85.72 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.29 -1.323 . . . . 3.1299999999999999 111.049 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.21 -49.44 74.21 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.513 -0.767 . . . . 5.21 109.332 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.789 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 51.2 t80 -61.68 -28.91 69.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.934 -1.03 . . . . 3.6200000000000001 111.384 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.53 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -83.05 -25.86 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.582 0.706 . . . . 2.9399999999999999 109.444 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.51 32.17 14.22 Favored Glycine 0 CA--C 1.503 -0.711 0 CA-C-N 114.565 -1.198 . . . . 3.6600000000000001 111.164 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.819 ' HB ' HG21 ' B' ' 19' ' ' THR . 15.9 m -140.29 151.91 21.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 114.572 -0.814 . . . . 3.5299999999999998 111.331 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.2 m -49.76 158.62 0.46 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.957 0.884 . . . . 4.3799999999999999 110.719 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.816 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 65.6 t80 -56.18 -58.21 8.92 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 114.971 -1.013 . . . . 3.6200000000000001 109.856 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.861 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -74.16 7.06 2.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.803 -1.089 . . . . 5.04 112.718 179.418 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.819 HG21 ' HB ' ' B' ' 15' ' ' VAL . 37.9 m -72.2 -56.92 4.73 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 101.138 -3.653 . . . . 3.7799999999999998 101.138 173.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.773 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -76.95 -29.73 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 CA-C-N 112.711 -2.041 . . . . 2.9300000000000002 113.063 176.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.861 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 30.9 m -59.88 -30.97 69.36 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.615 -0.678 . . . . 3.23 109.306 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -64.62 -40.28 95.21 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 106.766 -1.568 . . . . 5.4000000000000004 106.766 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.709 HG11 HG21 ' B' ' 38' ' ' VAL . 51.3 t -65.58 -51.08 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 113.399 -1.728 . . . . 3.1800000000000002 110.494 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.58 HG21 HD21 ' B' ' 6' ' ' LEU . 25.3 t -66.25 -21.36 28.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.351 -0.841 . . . . 3.1200000000000001 112.014 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.47 ' C ' ' H ' ' B' ' 27' ' ' ALA . 3.6 m-80 -101.78 3.96 39.99 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 120.177 -0.609 . . . . 4.0700000000000003 109.375 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 79.71 -39.65 0.2 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.746 -1.115 . . . . 6.0300000000000002 108.593 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' B' ' 25' ' ' ASN . . . 56.33 -161.64 0.19 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.128 -1.396 . . . . 4.4800000000000004 112.487 177.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -148.72 4.52 0.67 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.741 -0.663 . . . . 5.6900000000000004 110.684 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.54 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 7.0 m170 -153.56 93.84 1.73 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.468 -0.568 . . . . 6.5300000000000002 109.468 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.641 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 13.5 m -147.39 178.33 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.538 0.209 . . . . 4.4299999999999997 111.451 -178.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -115.72 173.23 6.65 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.201 -0.454 . . . . 3.96 111.371 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.58 -68.92 0.42 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.59 0.959 . . . . 3.3100000000000001 113.59 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' B' ' 36' ' ' GLU . 0.4 OUTLIER -53.46 -28.62 31.39 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.713 0.635 . . . . 4.9000000000000004 112.713 -178.015 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.739 ' O ' HG13 ' B' ' 38' ' ' VAL . 30.4 m -58.48 -43.94 89.16 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 120.676 -0.41 . . . . 3.1299999999999999 110.816 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 22.0 mtt180 -63.73 -44.41 93.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.002 -0.545 . . . . 3.9100000000000001 111.685 -177.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -68.97 -32.71 72.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.548 0.213 . . . . 2.9399999999999999 111.573 -178.513 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -70.44 -47.38 60.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.999 0.428 . . . . 3.1000000000000001 110.26 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.773 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -69.15 -42.83 81.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.763 -0.653 . . . . 2.3300000000000001 110.02 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 0.9 OUTLIER -59.63 -40.36 87.33 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.266 -0.642 . . . . 3.0 109.266 177.697 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -61.56 -51.75 67.26 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.891 -0.781 . . . . 2.6499999999999999 108.891 177.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.789 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -54.2 -51.71 63.55 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.392 -0.822 . . . . 2.6800000000000002 112.963 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.465 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.5 ptp -63.92 -31.57 72.8 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 121.115 -0.234 . . . . 2.7400000000000002 110.5 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.05 -43.56 67.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.923 0.392 . . . . 3.4300000000000002 111.248 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.499 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 4.5 mm-40 -68.28 -44.54 75.3 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.371 0.605 . . . . 3.8100000000000001 110.833 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt -80.98 -0.32 38.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.413 -0.812 . . . . 3.4700000000000002 110.781 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 40.4 t30 72.68 -48.55 0.69 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.403 0.681 . . . . 4.3899999999999997 110.352 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.73 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 1.5 t80 59.86 89.41 0.07 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.656 0.741 . . . . 2.9700000000000002 111.872 178.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' B' ' 49' ' ' PRO . 1.0 OUTLIER -123.04 116.24 28.81 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 115.262 -0.881 . . . . 3.9700000000000002 109.86 179.293 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 48' ' ' ILE . 61.0 Cg_endo -100.65 97.14 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.457 2.772 . . . . 3.6600000000000001 112.767 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -173.53 118.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.117 0.484 . . . . 5.1100000000000003 110.098 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -91.69 12.14 22.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.592 -0.731 . . . . 8.3200000000000003 111.697 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 51' ' ' ARG . 50.0 t -168.44 -92.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.51 -0.076 . . . . 6.1200000000000001 111.095 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.26 -78.36 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 121.014 -0.275 . . . . 7.4400000000000004 111.546 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.499 ' HB3' ' H ' ' B' ' 55' ' ' GLN . 25.2 tt0 -167.25 -99.54 0.01 OUTLIER 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.986 0.422 . . . . 10.52 110.682 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.597 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -146.42 18.95 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.359 -0.382 . . . . 12.48 110.704 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 56' ' ' LEU . 3.2 mm? 57.38 -99.3 0.1 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.64 -0.709 . . . . 11.92 112.073 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -120.62 28.12 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.975 0.417 . . . . 12.460000000000001 111.139 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.86 172.93 35.99 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.778 -0.725 . . . . 14.220000000000001 112.102 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -134.31 93.72 3.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.557 -0.534 . . . . 16.629999999999999 109.557 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.464 ' HB2' HE22 ' B' ' 55' ' ' GLN . 3.5 mt-30 -104.07 -176.58 3.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.218 0.532 . . . . 18.329999999999998 111.603 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.3 m -153.43 -162.96 1.56 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.549 -0.75 . . . . 19.620000000000001 109.534 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.537 ' C ' ' H2 ' ' A' ' 1' ' ' MET . 63.5 mt . . . . . 0 C--O 1.251 1.182 0 CA-C-O 119.046 -0.502 . . . . 21.170000000000002 110.127 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.655 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 O4'-C1'-N19 108.528 0.91 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.404 " H3'" ' N ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O4'-C1'-N19 109.379 1.974 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.46 ' OP2' HG12 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C1'-N19 109.115 1.644 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O3'-P-O5' 100.192 -2.004 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . 0.436 ' N7 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-N19 108.823 1.279 . . . . 7.2699999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-N19 109.507 2.134 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-N19 109.58 2.225 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.408 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-N19 109.196 1.745 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.408 ' H72' " C2'" ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 O3'-P-O5' 100.71 -1.732 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.423 " C2'" ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-N19 108.823 1.279 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.465 " H3'" ' OH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-N19 110.076 2.845 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-N19 109.555 2.193 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.445 ' C6 ' ' H72' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O3'-P-O5' 100.307 -1.944 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.445 ' H72' ' C6 ' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-N19 109.233 1.791 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.033 0 O4'-C1'-N19 109.208 1.761 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-N19 109.372 1.965 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 O3'-P-O5' 101.58 -1.274 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 N19-C1'-C2' 115.755 0.972 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.431 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.477 0 O5'-C5'-C4' 111.365 0.832 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.54 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.422 -1.112 0 O4'-C1'-N19 109.658 2.323 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.641 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 O4'-C1'-N19 109.456 2.07 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.472 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.522 -0.639 0 O3'-P-O5' 99.943 -2.135 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . 0.423 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-N19 108.966 1.458 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O4'-C1'-N19 109.499 2.123 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C1'-N19 109.381 1.976 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C1'-N19 109.304 1.88 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O3'-P-O5' 100.542 -1.82 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C1'-N19 108.938 1.422 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . 0.412 " H2'" ' OH ' ' A' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-N19 109.806 2.508 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 O4'-C1'-N19 109.537 2.171 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.42 -0.876 0 O3'-P-O5' 99.76 -2.232 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O3'-P-O5' 100.775 -1.697 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O4'-C1'-N19 109.256 1.82 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 109.225 1.782 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O3'-P-O5' 101.452 -1.341 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 N19-C1'-C2' 115.729 0.956 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 mmm . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.666 -0.494 . . . . 8.1099999999999994 109.666 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 1.9 tppp? -167.03 120.37 0.8 Allowed Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 122.984 0.177 . . . . 7.29 110.802 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 13.8 Cg_exo -70.22 -179.9 3.46 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.975 2.45 . . . . 4.3700000000000001 112.038 179.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.724 HG13 ' HB2' ' A' ' 8' ' ' ASP . 43.4 t -108.61 143.4 19.0 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 CA-C-O 122.19 0.995 . . . . 3.4500000000000002 111.716 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.6 p -118.05 163.88 15.94 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 105.94 -1.874 . . . . 3.5499999999999998 105.94 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.741 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 1.7 mt -59.34 -23.05 62.17 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 119.226 -0.989 . . . . 2.8500000000000001 110.833 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -65.18 -37.65 88.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.336 -0.847 . . . . 4.3899999999999997 110.596 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.724 ' HB2' HG13 ' A' ' 4' ' ' VAL . 18.9 m-20 -65.36 -45.43 84.17 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 114.712 -1.131 . . . . 4.1299999999999999 110.132 -178.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.453 HG13 ' HB3' ' A' ' 41' ' ' ALA . 86.2 t -67.87 -40.86 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.412 -0.813 . . . . 2.9100000000000001 109.025 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.597 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.82 -47.54 82.33 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.454 -1.248 . . . . 3.1400000000000001 111.164 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -50.17 65.46 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.719 -0.673 . . . . 5.2400000000000002 109.806 -179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.822 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 51.2 t80 -61.99 -27.99 69.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.007 -0.997 . . . . 3.8199999999999998 111.653 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.488 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.1 -27.21 30.35 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.556 0.693 . . . . 2.8700000000000001 109.189 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.04 33.39 9.68 Favored Glycine 0 N--CA 1.44 -1.092 0 CA-C-N 114.684 -1.144 . . . . 3.2799999999999998 111.125 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.73 HG11 HG23 ' A' ' 34' ' ' THR . 6.6 m -139.08 145.93 26.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.414 -0.893 . . . . 3.3900000000000001 110.461 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.5 m -57.39 154.54 10.61 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 122.033 0.921 . . . . 4.3399999999999999 110.704 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.691 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 88.5 t80 -53.35 -51.45 62.41 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 114.099 -1.41 . . . . 3.71 112.898 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.586 HE22 " H2'" ' C' ' 4' ' ' ' DT' . 0.0 OUTLIER -64.25 -20.03 65.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.856 -0.611 . . . . 5.5 111.303 -178.492 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 23' ' ' VAL . 9.3 m -68.55 -62.42 1.4 Allowed 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.9 -0.407 . . . . 3.6499999999999999 109.9 177.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -69.46 -29.41 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 2.8500000000000001 112.149 -179.073 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -57.85 -44.37 86.48 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.671 -0.492 . . . . 3.1899999999999999 109.671 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.482 HH11 HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -70.63 -27.79 64.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.055 -0.72 . . . . 4.4400000000000004 109.055 179.407 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.094 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 53.3 t -67.49 -50.18 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-N 114.65 -1.159 . . . . 2.9100000000000001 110.965 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.418 HG12 ' ND2' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -63.71 -17.85 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.491 -0.777 . . . . 2.7200000000000002 111.208 -179.578 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 13.8 m-80 -103.31 -11.17 18.12 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.958 0.725 . . . . 3.6800000000000002 112.958 -178.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 3.8 mt-30 176.87 -63.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.788 0.435 . . . . 6.0800000000000001 111.965 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.094 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 63.73 46.24 4.14 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.599 -0.728 . . . . 4.6299999999999999 111.349 -178.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.2 2.66 23.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 5.0899999999999999 111.455 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.56 85.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.733 0.301 . . . . 5.7999999999999998 110.362 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.482 HG13 HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -162.14 164.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.718 -0.845 . . . . 4.2300000000000004 108.718 179.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.45 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 68.4 m -73.12 156.51 38.59 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.584 -0.447 . . . . 3.6600000000000001 110.425 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.13 -60.51 3.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 3.2799999999999998 111.386 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -54.72 -34.71 62.82 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.184 -0.462 . . . . 4.5899999999999999 112.029 -179.653 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.743 ' O ' HG13 ' A' ' 38' ' ' VAL . 12.1 m -55.69 -49.49 72.83 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 121.181 -0.207 . . . . 2.8599999999999999 111.498 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 35' ' ' ARG . 31.2 mtm180 -63.28 -35.29 79.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.342 0.591 . . . . 4.1600000000000001 109.889 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 57.1 mt-10 -67.43 -40.41 85.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.157 -0.928 . . . . 3.5499999999999998 111.605 -178.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -77.77 -37.78 48.21 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 120.522 -0.471 . . . . 2.8399999999999999 111.492 -178.584 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.006 HG21 HG11 ' A' ' 23' ' ' VAL . 3.5 m -62.7 -46.24 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 108.529 -0.915 . . . . 2.2599999999999998 108.529 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 5.4 mt-10 -61.41 -42.38 98.64 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.517 -0.765 . . . . 3.27 109.616 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.741 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -61.34 -54.81 39.07 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 109.107 -0.701 . . . . 2.8599999999999999 109.107 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.822 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.07 -51.4 53.62 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 113.327 0.862 . . . . 2.8900000000000001 113.327 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.439 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.8 ptp -64.22 -32.68 74.35 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.855 -0.338 . . . . 2.8799999999999999 110.352 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.42 -44.24 65.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.383 . . . . 3.6000000000000001 111.132 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.741 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 3.9 mm-40 -69.14 -44.65 71.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.878 -0.601 . . . . 4.0899999999999999 111.102 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.4 mt -80.76 -0.35 38.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.781 -0.645 . . . . 3.71 110.896 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.486 ' ND2' HD13 ' A' ' 48' ' ' ILE . 42.5 t30 74.38 -42.2 0.5 Allowed 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.81 0.694 . . . . 4.1799999999999997 110.119 -179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.741 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.2 t80 61.77 79.29 0.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.065 -0.97 . . . . 3.1000000000000001 112.24 178.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.486 HD13 ' ND2' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -114.05 106.2 53.49 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 106.984 -1.487 . . . . 3.7000000000000002 106.984 176.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.48 -64.24 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.507 2.805 . . . . 3.6000000000000001 114.195 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.7 t30 58.02 44.76 18.99 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.673 0.749 . . . . 5.1399999999999997 109.877 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -28.6 69.87 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.674 -0.694 . . . . 9.0 110.297 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 p -92.08 -105.19 0.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.801 -0.636 . . . . 5.8700000000000001 110.213 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -164.99 74.84 0.24 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.343 0.592 . . . . 7.9500000000000002 109.861 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -83.24 -19.93 35.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.478 -0.783 . . . . 10.550000000000001 111.09 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -171.57 -38.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 13.16 110.606 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.6 mm? -115.05 143.55 45.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 12.140000000000001 110.108 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.3 -55.07 4.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.825 0.345 . . . . 14.140000000000001 110.286 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.41 146.96 48.22 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.839 -0.619 . . . . 16.039999999999999 112.832 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -131.36 178.19 6.91 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.404 -0.591 . . . . 17.800000000000001 109.404 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -66.72 102.18 0.9 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.105 0.478 . . . . 19.609999999999999 110.553 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.06 59.77 5.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.146 -0.479 . . . . 20.57 110.387 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 N--CA 1.464 0.242 0 CA-C-N 115.55 -0.75 . . . . 21.890000000000001 111.105 -179.779 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.728 0.299 . . . . 10.35 110.941 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.46 127.25 18.66 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 121.024 0.44 . . . . 8.3300000000000001 111.499 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -79.46 -92.85 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.616 2.211 . . . . 4.4900000000000002 110.875 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.545 HG13 ' HB2' ' B' ' 8' ' ' ASP . 46.5 t -124.24 138.16 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 CA-C-O 122.242 1.02 . . . . 3.1600000000000001 111.062 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.668 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.1 OUTLIER -108.91 153.87 22.94 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 105.335 -2.098 . . . . 3.1699999999999999 105.335 176.709 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.764 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.4 mt -60.14 -21.0 61.08 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 118.887 -1.125 . . . . 2.5600000000000001 111.001 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -35.02 79.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.298 -0.864 . . . . 4.2800000000000002 109.447 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.545 ' HB2' HG13 ' B' ' 4' ' ' VAL . 23.8 m-20 -65.67 -44.8 85.16 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 114.061 -1.427 . . . . 3.77 109.878 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' B' ' 42' ' ' MET . 74.5 t -67.39 -42.6 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.157 -0.929 . . . . 2.6800000000000002 108.717 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.531 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.72 -47.04 85.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.782 -1.554 . . . . 3.1299999999999999 111.432 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -49.34 71.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.722 -0.672 . . . . 5.21 109.304 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.792 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 40.2 t80 -59.82 -28.99 67.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.56 -0.745 . . . . 3.6200000000000001 111.43 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -85.4 -26.1 26.62 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.695 0.759 . . . . 2.9399999999999999 109.527 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.35 30.97 14.79 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 114.313 -1.312 . . . . 3.6600000000000001 111.599 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.658 ' HB ' ' CB ' ' B' ' 19' ' ' THR . 9.2 m -140.01 153.54 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.094 -0.553 . . . . 3.5299999999999998 112.475 -176.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.1 m -49.92 165.09 0.09 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 122.245 1.021 . . . . 4.3799999999999999 112.166 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.764 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 54.8 t80 -61.14 -59.24 5.65 Favored 'General case' 0 C--O 1.159 -3.682 0 CA-C-N 115.022 -0.99 . . . . 3.6200000000000001 109.207 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.17 16.5 0.17 Allowed 'General case' 0 C--N 1.291 -1.963 0 C-N-CA 126.421 1.888 . . . . 5.04 108.601 171.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.658 ' CB ' ' HB ' ' B' ' 15' ' ' VAL . 32.2 m -82.1 -64.69 1.13 Allowed 'General case' 0 N--CA 1.414 -2.237 1 N-CA-C 98.983 -4.451 . . . . 3.7799999999999998 98.983 165.534 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.84 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 0.5 OUTLIER -76.4 -36.2 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 C-N-CA 127.538 2.335 . . . . 2.9300000000000002 116.715 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.9 p -62.48 -29.27 70.41 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.413 -0.804 . . . . 3.23 109.959 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.495 ' HD3' ' CG1' ' B' ' 30' ' ' VAL . 0.0 OUTLIER -69.62 -32.01 70.47 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 106.658 -1.608 . . . . 5.4000000000000004 106.658 176.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 1.09 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 97.6 t -66.33 -51.07 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 CA-C-N 113.846 -1.525 . . . . 3.1800000000000002 108.988 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -65.23 -20.88 28.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.081 -0.963 . . . . 3.1200000000000001 111.762 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -95.35 -10.3 30.49 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.825 -0.75 . . . . 4.0700000000000003 112.298 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' B' ' 27' ' ' ALA . 3.2 pt20 171.19 -49.49 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 122.738 0.415 . . . . 6.0300000000000002 111.049 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 1.09 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 56.21 27.61 11.95 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.977 0.911 . . . . 4.4800000000000004 112.443 -178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -8.96 58.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.159 0.504 . . . . 5.6900000000000004 111.044 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.545 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 92.0 m-70 -129.59 79.11 1.89 Allowed 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.14 -0.689 . . . . 6.5300000000000002 109.14 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.518 ' HA ' " H3'" ' D' ' 2' ' ' ' DG' . 14.3 m -149.95 -177.66 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 CA-C-O 121.657 0.742 . . . . 4.4299999999999997 112.434 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.4 m -109.83 169.78 8.5 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.562 -1.199 . . . . 3.96 110.104 177.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.84 -72.51 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.448 0.907 . . . . 3.3100000000000001 113.448 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 5.5 ptpt -55.64 -29.33 59.04 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.218 0.821 . . . . 4.9000000000000004 113.218 -177.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.693 ' O ' HG13 ' B' ' 38' ' ' VAL . 25.1 m -61.74 -44.14 97.49 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.626 -0.43 . . . . 3.1299999999999999 111.117 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' B' ' 39' ' ' GLU . 19.3 mtm180 -67.24 -35.38 79.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.988 0.423 . . . . 3.9100000000000001 110.236 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -67.77 -38.87 84.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.597 -0.728 . . . . 2.9399999999999999 111.109 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -71.8 -45.62 60.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.117 -0.492 . . . . 3.1000000000000001 111.056 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.84 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.4 m -67.07 -46.5 84.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.536 -0.302 . . . . 2.3300000000000001 110.199 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.625 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 1.5 tt0 -59.99 -41.75 92.71 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.046 -0.724 . . . . 3.0 109.046 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.711 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.71 -53.98 46.14 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.147 -0.686 . . . . 2.6499999999999999 109.147 178.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.792 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.6 -51.82 52.51 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.155 0.798 . . . . 2.6800000000000002 113.155 -179.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.48 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.6 ptp -64.96 -32.48 74.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.767 0.318 . . . . 2.7400000000000002 110.396 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.43 -42.69 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 3.4300000000000002 111.217 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.711 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.2 mm-40 -69.24 -44.63 71.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.869 -0.605 . . . . 3.8100000000000001 110.737 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.1 mt -81.29 1.39 32.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.54 -0.755 . . . . 3.4700000000000002 111.053 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 10.7 t30 73.99 -53.88 0.68 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.641 0.588 . . . . 4.3899999999999997 109.899 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.726 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 7.9 t80 53.33 102.95 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 113.743 1.016 . . . . 2.9700000000000002 113.743 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 1.3 tp -118.05 119.72 33.24 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.29 -0.868 . . . . 3.9700000000000002 109.122 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -96.15 149.5 1.26 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.963 2.442 . . . . 3.6600000000000001 114.145 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -165.09 88.5 0.45 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.66 -0.7 . . . . 5.1100000000000003 110.489 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -139.58 22.66 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 8.3200000000000003 110.677 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 59.0 m -132.23 -120.08 0.2 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 6.1200000000000001 110.666 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -153.2 97.92 2.22 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.179 0.514 . . . . 7.4400000000000004 111.267 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -120.51 -7.07 9.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.566 -0.743 . . . . 10.52 110.957 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -108.72 10.48 26.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.977 -0.556 . . . . 12.48 110.147 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 56' ' ' LEU . 3.3 mm? -87.88 -91.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.737 -0.665 . . . . 11.92 110.826 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.19 -74.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.452 -0.34 . . . . 12.460000000000001 110.758 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.32 -167.22 17.33 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.745 -0.741 . . . . 14.220000000000001 112.271 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -84.57 77.54 10.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.985 0.421 . . . . 16.629999999999999 110.401 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -128.83 85.89 2.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.95 -0.568 . . . . 18.329999999999998 111.045 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.2 m -78.13 -38.09 44.64 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.241 -0.281 . . . . 19.620000000000001 110.241 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--O 1.252 1.205 0 CA-C-N 115.441 -0.8 . . . . 21.170000000000002 111.514 179.675 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.452 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.548 0 O5'-C5'-C4' 111.586 0.99 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.405 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.084 0 O4'-C1'-N19 109.153 1.691 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.439 ' OP2' HG12 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-N19 109.315 1.893 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.586 " H2'" HE22 ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O3'-P-O5' 100.839 -1.664 . . . . 5.9699999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O3'-P-O5' 100.728 -1.722 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O3'-P-O5' 100.641 -1.768 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.419 -0.911 0 O3'-P-O5' 100.192 -2.004 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O3'-P-O5' 100.338 -1.927 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O3'-P-O5' 100.218 -1.99 . . . . 6.2400000000000002 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O3'-P-O5' 100.817 -1.675 . . . . 5.0499999999999998 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.668 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.083 0 C5'-C4'-C3' 111.335 -2.243 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.438 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.416 -1.136 0 O3'-P-O5' 98.4 -2.947 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.438 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.416 -1.125 0 O3'-P-O5' 100.013 -2.098 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.154 0 O3'-P-O5' 99.85 -2.184 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O3'-P-O5' 100.553 -1.814 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O3'-P-O5' 100.315 -1.939 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C1'-N19 108.912 1.39 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 N19-C1'-C2' 115.969 1.106 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.518 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-N19 108.798 1.247 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.545 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C1'-N19 109.132 1.666 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.485 H2'' ' OP2' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O4'-C1'-N19 109.947 2.684 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.485 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.421 -0.783 0 O3'-P-O5' 99.882 -2.167 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.047 0 O3'-P-O5' 100.905 -1.629 . . . . 7.4699999999999998 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.014 0 O4'-C1'-N19 109.327 1.908 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.418 -1.021 0 O3'-P-O5' 99.915 -2.15 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.418 -1.002 0 O3'-P-O5' 99.925 -2.145 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O3'-P-O5' 99.793 -2.214 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C1'-N19 109.341 1.927 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.063 0 O3'-P-O5' 99.453 -2.393 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.077 0 O3'-P-O5' 99.753 -2.235 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 O3'-P-O5' 99.764 -2.229 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O3'-P-O5' 100.036 -2.086 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O3'-P-O5' 100.634 -1.771 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.019 0 O3'-P-O5' 100.723 -1.725 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O3'-P-O5' 101.554 -1.287 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.123 0.93 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 tpt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.425 -0.213 . . . . 8.1099999999999994 110.425 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -151.11 107.41 3.0 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.675 -0.239 . . . . 7.29 110.852 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -85.51 -155.66 0.06 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.736 2.291 . . . . 4.3700000000000001 110.795 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.651 HG13 ' HB2' ' A' ' 8' ' ' ASP . 28.9 t -97.9 142.44 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 122.247 1.022 . . . . 3.4500000000000002 111.411 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.7 p -120.44 163.34 18.06 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 105.633 -1.988 . . . . 3.5499999999999998 105.633 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.645 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.6 mt -59.32 -22.58 61.46 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 119.372 -0.931 . . . . 2.8500000000000001 110.93 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -65.35 -38.24 89.5 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.503 -0.771 . . . . 4.3899999999999997 110.217 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.651 ' HB2' HG13 ' A' ' 4' ' ' VAL . 27.0 m-20 -65.58 -45.27 83.92 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 114.437 -1.256 . . . . 4.1299999999999999 109.731 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.469 HG13 ' HB3' ' A' ' 41' ' ' ALA . 96.7 t -68.07 -41.69 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 115.209 -0.905 . . . . 2.9100000000000001 109.202 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.586 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -57.47 -46.83 83.23 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.708 -1.133 . . . . 3.1400000000000001 111.334 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.16 -49.31 61.8 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.647 -0.501 . . . . 5.2400000000000002 109.647 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.84 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 50.2 t80 -60.81 -27.74 68.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.656 -0.702 . . . . 3.8199999999999998 111.476 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.93 -27.95 28.19 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.742 0.782 . . . . 2.8700000000000001 109.524 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.1 35.15 9.11 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-N 114.693 -1.139 . . . . 3.2799999999999998 110.968 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.822 HG11 HG23 ' A' ' 34' ' ' THR . 5.6 m -139.48 146.54 25.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.498 -0.851 . . . . 3.3900000000000001 110.178 -178.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -55.85 149.85 14.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.602 0.715 . . . . 4.3399999999999999 110.384 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 71.2 t80 -51.62 -51.18 57.74 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.652 -1.158 . . . . 3.71 111.871 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.58 -22.15 64.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.549 -0.751 . . . . 5.5 111.927 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 23' ' ' VAL . 9.1 m -68.67 -61.12 1.95 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.557 -0.292 . . . . 3.6499999999999999 110.349 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.586 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -68.52 -29.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 2.8500000000000001 111.932 -179.21 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.4 m -58.1 -42.5 85.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.142 0.496 . . . . 3.1899999999999999 109.857 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -29.97 67.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.807 -0.812 . . . . 4.4400000000000004 108.807 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.101 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 71.5 t -67.28 -50.37 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 114.533 -1.212 . . . . 2.9100000000000001 110.51 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -18.92 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.094 -0.957 . . . . 2.7200000000000002 111.473 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -96.32 -13.82 23.02 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.873 0.694 . . . . 3.6800000000000002 112.873 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 165.32 -45.76 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.417 0.448 . . . . 6.0800000000000001 111.762 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.101 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 57.63 63.42 1.83 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.09 0.471 . . . . 4.6299999999999999 111.873 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -8.61 59.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.104 -0.498 . . . . 5.0899999999999999 111.585 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -151.96 99.7 2.58 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.623 -0.51 . . . . 5.7999999999999998 109.623 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.576 HG11 ' HB1' ' A' ' 27' ' ' ALA . 4.2 p -171.86 154.69 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.788 -0.642 . . . . 4.2300000000000004 109.843 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.97 171.11 11.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.392 0.615 . . . . 3.6600000000000001 112.139 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.1 -64.97 0.79 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.232 -0.894 . . . . 3.2799999999999998 112.054 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HE2' ' HB3' ' A' ' 33' ' ' LYS . 7.7 ptpt -52.31 -33.77 43.89 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.204 0.446 . . . . 4.5899999999999999 112.204 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.822 HG23 HG11 ' A' ' 15' ' ' VAL . 26.6 m -63.91 -42.53 97.39 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 116.835 -0.166 . . . . 2.8599999999999999 111.421 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 38' ' ' VAL . 20.0 mtm180 -66.98 -37.11 83.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.095 -0.706 . . . . 4.1600000000000001 109.095 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -67.63 -35.38 78.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.451 -1.25 . . . . 3.5499999999999998 110.264 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -71.01 -46.69 61.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.583 -0.735 . . . . 2.8399999999999999 110.683 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.947 HG21 HG11 ' A' ' 23' ' ' VAL . 2.5 m -64.98 -47.02 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.984 -0.376 . . . . 2.2599999999999998 109.984 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -62.47 -42.14 99.28 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.972 -0.558 . . . . 3.27 110.008 179.108 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.753 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -60.96 -53.34 58.43 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.5 -0.926 . . . . 2.8599999999999999 108.5 177.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.84 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.52 -51.83 51.93 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 113.236 0.828 . . . . 2.8900000000000001 113.236 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.419 ' N ' HG13 ' A' ' 9' ' ' VAL . 16.7 ptp -65.18 -32.29 73.89 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.732 -0.387 . . . . 2.8799999999999999 110.417 -179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.91 66.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.972 0.415 . . . . 3.6000000000000001 111.069 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.753 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 19.5 mm-40 -69.59 -44.36 70.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 4.0899999999999999 110.82 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.8 mt -79.34 -0.0 30.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.468 -0.787 . . . . 3.71 110.611 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 13.5 t30 75.04 -49.06 0.65 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.757 0.661 . . . . 4.1799999999999997 110.672 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.645 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 1.4 t80 51.85 58.26 5.64 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.871 0.843 . . . . 3.1000000000000001 109.523 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.448 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 9.9 tp -49.0 116.72 5.72 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 113.931 -1.486 . . . . 3.7000000000000002 113.462 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 79.1 Cg_endo -98.93 -142.78 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 123.614 2.876 . . . . 3.6000000000000001 111.325 177.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.444 ' H ' ' HB2' ' A' ' 49' ' ' PRO . 63.0 t30 -81.54 68.51 7.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.422 0.629 . . . . 5.1399999999999997 110.25 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -106.78 36.41 2.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.699 -0.682 . . . . 9.0 110.979 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.28 119.21 1.24 Allowed 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.78 0.8 . . . . 5.8700000000000001 110.67 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -159.75 148.99 17.9 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.101 -1.409 . . . . 7.9500000000000002 110.656 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -152.41 142.45 22.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.735 -0.211 . . . . 10.550000000000001 110.57 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 69.86 -59.99 0.49 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.91 0.884 . . . . 13.16 112.017 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.7 mt -75.11 138.55 42.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.128 -0.487 . . . . 12.140000000000001 111.072 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.47 151.95 36.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.132 -0.485 . . . . 14.140000000000001 110.544 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.649 ' HA3' HG22 ' B' ' 48' ' ' ILE . . . -148.52 157.56 27.35 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.931 -0.652 . . . . 16.039999999999999 111.504 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -118.77 157.27 27.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.913 0.387 . . . . 17.800000000000001 110.813 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -89.31 150.18 22.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.754 -0.657 . . . . 19.609999999999999 109.979 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.9 47.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.018 0.437 . . . . 20.57 111.212 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.5 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 21.890000000000001 110.622 -179.637 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.5 ttm . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.285 0.564 . . . . 10.35 110.136 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 0.3 OUTLIER -144.55 120.72 6.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.757 -0.656 . . . . 8.3300000000000001 110.265 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.436 ' HD2' HG12 ' B' ' 48' ' ' ILE . 24.8 Cg_exo -63.27 -56.27 0.58 Allowed 'Trans proline' 0 CA--C 1.515 -0.44 0 C-N-CA 123.103 2.535 . . . . 4.4900000000000002 112.928 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.553 HG13 ' HB2' ' B' ' 8' ' ' ASP . 36.8 t -126.0 143.13 40.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.811 0.815 . . . . 3.1600000000000001 111.396 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.41 ' O ' HG12 ' B' ' 4' ' ' VAL . 32.9 p -109.52 159.25 17.22 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 105.864 -1.902 . . . . 3.1699999999999999 105.864 175.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.976 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.4 mt -61.4 -20.89 63.57 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 118.858 -1.137 . . . . 2.5600000000000001 109.336 178.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -63.58 -40.12 96.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.746 -1.115 . . . . 4.2800000000000002 109.893 177.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.553 ' HB2' HG13 ' B' ' 4' ' ' VAL . 20.5 m-20 -64.16 -44.46 92.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 113.855 -1.521 . . . . 3.77 109.739 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.458 HG13 ' N ' ' B' ' 42' ' ' MET . 93.9 t -67.9 -41.64 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.186 -0.916 . . . . 2.6800000000000002 109.239 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.512 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -59.93 -46.89 87.94 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.238 -1.346 . . . . 3.1299999999999999 111.412 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.41 -49.11 70.45 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.497 0.665 . . . . 5.21 109.376 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.739 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 52.7 t80 -60.86 -28.25 68.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.903 -1.044 . . . . 3.6200000000000001 111.29 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.97 -26.73 26.95 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.452 0.644 . . . . 2.9399999999999999 109.281 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.27 31.7 13.56 Favored Glycine 0 CA--C 1.501 -0.834 0 CA-C-N 114.719 -1.128 . . . . 3.6600000000000001 111.32 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.641 ' HB ' HG21 ' B' ' 19' ' ' THR . 9.5 m -140.21 150.88 21.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.648 -0.776 . . . . 3.5299999999999998 110.758 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 14.2 m -47.35 161.98 0.07 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.601 0.715 . . . . 4.3799999999999999 112.349 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.724 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 66.4 t80 -60.42 -60.89 3.09 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-N 114.971 -1.013 . . . . 3.6200000000000001 108.851 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 1.049 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -71.3 11.31 0.46 Allowed 'General case' 0 C--O 1.251 1.145 0 C-N-CA 120.16 -0.616 . . . . 5.04 112.222 174.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.641 HG21 ' HB ' ' B' ' 15' ' ' VAL . 45.8 m -74.4 -63.21 1.28 Allowed 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 101.894 -3.372 . . . . 3.7799999999999998 101.894 170.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.836 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.6 m -75.48 -32.06 24.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 113.943 -1.48 . . . . 2.9300000000000002 112.652 177.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 1.049 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 37.5 t -61.62 -36.57 81.13 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 121.422 -0.799 . . . . 3.23 110.011 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -67.91 -32.37 72.8 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.386 -1.339 . . . . 5.4000000000000004 107.386 178.272 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.963 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 87.3 t -66.04 -50.49 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 113.747 -1.57 . . . . 3.1800000000000002 109.653 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.22 -20.61 27.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.053 -0.976 . . . . 3.1200000000000001 112.364 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -97.37 -9.57 27.19 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.82 -0.752 . . . . 4.0700000000000003 112.793 -176.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 166.66 -54.05 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.786 0.834 . . . . 6.0300000000000002 110.874 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.963 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 60.81 42.67 13.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.969 -1.014 . . . . 4.4800000000000004 111.703 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -22.64 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.145 0.497 . . . . 5.6900000000000004 110.742 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.669 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 27.4 m170 -132.07 87.03 2.39 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.918 -0.583 . . . . 6.5300000000000002 109.921 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.656 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 17.4 m -144.9 176.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.406 -0.361 . . . . 4.4299999999999997 111.163 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 43.1 m -106.82 170.54 7.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.243 -0.435 . . . . 3.96 110.961 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.97 -69.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.522 -0.763 . . . . 3.3100000000000001 112.572 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -52.91 -28.93 25.67 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.17 0.433 . . . . 4.9000000000000004 112.17 -178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.716 ' O ' HG13 ' B' ' 38' ' ' VAL . 15.6 m -62.53 -54.78 34.75 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 111.733 0.272 . . . . 3.1299999999999999 111.733 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -60.1 -41.12 91.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.982 0.42 . . . . 3.9100000000000001 110.929 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -67.16 -33.87 76.35 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.502 -0.772 . . . . 2.9399999999999999 111.331 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -77.39 -42.15 37.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.574 -0.285 . . . . 3.1000000000000001 110.741 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.836 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.3 m -68.22 -45.14 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.666 -0.494 . . . . 2.3300000000000001 109.666 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.14 -37.61 85.81 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.178 -0.675 . . . . 3.0 109.178 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.66 -54.96 31.52 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.634 -0.876 . . . . 2.6499999999999999 108.634 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.739 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.15 -51.43 53.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.618 -0.719 . . . . 2.6800000000000002 112.751 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.458 ' N ' HG13 ' B' ' 9' ' ' VAL . 16.9 ptp -64.22 -32.03 73.46 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.032 -0.267 . . . . 2.7400000000000002 110.381 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.11 -44.59 65.32 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.073 0.463 . . . . 3.4300000000000002 111.069 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.8 -43.42 79.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.72 -0.673 . . . . 3.8100000000000001 110.391 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.0 mt -80.72 0.91 32.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.648 -0.706 . . . . 3.4700000000000002 110.758 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.436 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 2.4 t-20 75.47 -56.5 0.61 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.503 0.721 . . . . 4.3899999999999997 110.189 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.976 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 2.5 t80 54.57 98.16 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 O-C-N 124.008 0.817 . . . . 2.9700000000000002 111.434 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.649 HG22 ' HA3' ' A' ' 58' ' ' GLY . 1.6 pp -80.62 152.18 72.28 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-N 115.773 -0.649 . . . . 3.9700000000000002 111.405 -178.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 48' ' ' ILE . 70.0 Cg_endo -91.94 125.16 0.8 Allowed 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.675 2.917 . . . . 3.6600000000000001 111.763 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.93 85.75 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.796 -0.361 . . . . 5.1100000000000003 111.652 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' B' ' 52' ' ' CYS . 29.0 ttm-85 -178.89 -83.69 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.017 -0.538 . . . . 8.3200000000000003 110.532 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 7.8 t 174.13 139.61 0.04 OUTLIER 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 108.284 -1.006 . . . . 6.1200000000000001 108.284 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.06 -78.0 0.07 Allowed 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 114.274 -1.33 . . . . 7.4400000000000004 111.711 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.445 ' HG3' ' H ' ' B' ' 56' ' ' LEU . 2.5 pt20 -158.21 -170.23 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.735 0.303 . . . . 10.52 110.289 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.434 ' OE1' ' HB2' ' B' ' 54' ' ' GLN . 1.5 pm0 -80.29 10.01 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.522 . . . . 12.48 111.201 -179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.445 ' H ' ' HG3' ' B' ' 54' ' ' GLN . 71.7 mt 61.36 20.4 11.07 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.921 -0.582 . . . . 11.92 111.685 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.48 170.75 14.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.236 -0.438 . . . . 12.460000000000001 110.374 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 90.54 -7.06 81.96 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.715 -0.755 . . . . 14.220000000000001 112.086 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -64.87 -30.66 71.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.928 0.394 . . . . 16.629999999999999 110.887 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -128.04 45.45 2.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.945 -0.57 . . . . 18.329999999999998 109.951 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 36.3 m -122.74 141.12 52.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.931 -0.577 . . . . 19.620000000000001 110.539 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.766 -0.635 . . . . 21.170000000000002 110.063 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.513 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 O4'-C1'-N19 108.612 1.015 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.014 0 O4'-C1'-N19 109.513 2.141 . . . . 6.3700000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.468 ' OP2' HG23 ' A' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O3'-P-O5' 100.824 -1.672 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-N19 109.264 1.83 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-N19 108.886 1.357 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C1'-N19 109.442 2.052 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-N19 109.499 2.124 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.403 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O4'-C1'-N19 109.16 1.7 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.432 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O3'-P-O5' 101.086 -1.534 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.432 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-N19 108.809 1.261 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.416 " H3'" ' OH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 110.053 2.816 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O3'-P-O5' 99.221 -2.515 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O3'-P-O5' 100.009 -2.101 . . . . 6.0800000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.124 0 O4'-C1'-N19 109.227 1.783 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.037 0 O3'-P-O5' 100.688 -1.743 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O3'-P-O5' 100.604 -1.787 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 O4'-C1'-N19 108.906 1.382 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 N19-C1'-C2' 115.814 1.009 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.445 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.579 0 O4'-C1'-C2' 107.034 0.849 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.669 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O4'-C1'-N19 109.568 2.21 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.656 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-N19 109.982 2.727 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.507 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.523 -0.515 0 O3'-P-O5' 100.125 -2.039 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . 0.421 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-N19 108.757 1.196 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C1'-N19 109.495 2.119 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-N19 109.455 2.068 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 O4'-C1'-N19 109.282 1.853 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O3'-P-O5' 100.83 -1.669 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-N19 108.951 1.438 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 109.653 2.316 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.094 0 O3'-P-O5' 100.342 -1.925 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . 0.401 " C2'" ' H72' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.969 0 O3'-P-O5' 100.029 -2.09 . . . . 5.6500000000000004 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.401 ' H72' " C2'" ' D' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O3'-P-O5' 100.616 -1.781 . . . . 7.2400000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C1'-N19 109.149 1.686 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C1'-N19 109.076 1.595 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O3'-P-O5' 101.592 -1.268 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.107 0.915 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.12 -0.326 . . . . 8.1099999999999994 110.12 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 6.3 ptmm? -104.32 147.52 34.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 N-CA-C 110.294 -0.262 . . . . 7.29 110.294 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 3.4 Cg_exo -76.66 174.69 12.43 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.787 2.325 . . . . 4.3700000000000001 112.544 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.601 HG13 ' CB ' ' A' ' 8' ' ' ASP . 94.6 t -125.24 144.22 36.05 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 CA-C-N 115.432 -0.804 . . . . 3.4500000000000002 109.815 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 40.2 p -108.67 158.51 17.54 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 106.465 -1.68 . . . . 3.5499999999999998 106.465 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.92 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 1.6 mt -59.02 -23.98 62.42 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.051 -1.059 . . . . 2.8500000000000001 110.756 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -65.21 -35.45 81.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.313 -0.858 . . . . 4.3899999999999997 110.042 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.601 ' CB ' HG13 ' A' ' 4' ' ' VAL . 5.1 m-20 -65.51 -46.81 78.24 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 114.377 -1.283 . . . . 4.1299999999999999 109.815 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.437 HG13 ' HB3' ' A' ' 41' ' ' ALA . 96.3 t -68.37 -41.24 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 115.712 -0.676 . . . . 2.9100000000000001 109.365 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.0 -46.82 84.62 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.581 -1.191 . . . . 3.1400000000000001 111.603 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.81 -49.78 60.44 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.497 0.665 . . . . 5.2400000000000002 109.535 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.793 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 52.8 t80 -60.51 -27.42 67.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.677 -1.147 . . . . 3.8199999999999998 111.752 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.05 -27.6 26.23 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.602 0.715 . . . . 2.8700000000000001 109.659 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 35.12 8.95 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 114.751 -1.113 . . . . 3.2799999999999998 110.957 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.624 HG11 HG23 ' A' ' 34' ' ' THR . 5.2 m -139.08 147.36 24.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.315 -0.942 . . . . 3.3900000000000001 109.847 -178.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 m -55.72 150.29 12.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.639 0.733 . . . . 4.3399999999999999 110.239 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.681 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 79.1 t80 -51.7 -51.45 55.92 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 114.49 -1.232 . . . . 3.71 112.219 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -25.05 66.43 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.465 -0.789 . . . . 5.5 111.694 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.7 m -64.98 -61.49 2.13 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.884 0.373 . . . . 3.6499999999999999 110.229 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.668 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -69.37 -29.1 40.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 2.8500000000000001 111.291 -179.736 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.483 ' HA ' HD13 ' A' ' 6' ' ' LEU . 33.9 t -58.43 -43.69 88.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.039 -0.726 . . . . 3.1899999999999999 109.039 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 19' ' ' THR . 1.7 ptm180 -70.16 -26.56 63.98 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.761 -0.654 . . . . 4.4400000000000004 109.379 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.044 HG11 HG21 ' A' ' 38' ' ' VAL . 46.9 t -66.39 -50.35 68.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.377 -0.829 . . . . 2.9100000000000001 110.562 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -21.02 28.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.041 -0.981 . . . . 2.7200000000000002 112.124 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -110.88 -10.12 14.43 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.543 0.942 . . . . 3.6800000000000002 113.543 -177.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -171.96 -79.45 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.067 0.395 . . . . 6.0800000000000001 112.067 -179.388 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.02 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 56.76 50.23 12.91 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.034 0.533 . . . . 4.6299999999999999 112.095 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -74.74 -12.32 60.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.208 -0.451 . . . . 5.0899999999999999 110.97 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -146.51 92.34 2.15 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.353 -0.385 . . . . 5.7999999999999998 110.754 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.632 HG21 ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -154.8 160.74 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.571 -0.741 . . . . 4.2300000000000004 109.01 179.581 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.472 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 50.7 m -71.13 167.29 19.64 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.203 0.525 . . . . 3.6600000000000001 111.48 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -70.06 -59.15 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.403 -0.817 . . . . 3.2799999999999998 110.318 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -53.33 -34.21 56.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.658 -0.701 . . . . 4.5899999999999999 111.501 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.691 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.4 m -63.38 -46.87 84.48 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.525 -0.307 . . . . 2.8599999999999999 111.708 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' O ' HG22 ' A' ' 38' ' ' VAL . 20.0 mtm180 -67.31 -37.84 84.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.462 -0.57 . . . . 4.1600000000000001 109.462 -178.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 19.0 mt-10 -68.14 -30.54 69.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.271 -0.877 . . . . 3.5499999999999998 110.131 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -73.65 -47.69 37.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.05 -0.523 . . . . 2.8399999999999999 109.815 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.044 HG21 HG11 ' A' ' 23' ' ' VAL . 3.0 m -64.17 -44.84 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 108.735 -0.839 . . . . 2.2599999999999998 108.735 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 5.7 mt-10 -57.79 -48.95 78.22 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 115.427 -0.806 . . . . 3.27 109.601 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.03 -55.55 33.65 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 109.244 -0.65 . . . . 2.8599999999999999 109.244 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.793 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.73 -51.51 49.34 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.284 0.846 . . . . 2.8900000000000001 113.284 -178.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 16.6 ptp -65.26 -32.49 74.19 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.697 -0.401 . . . . 2.8799999999999999 110.337 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.27 -44.26 65.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.971 0.415 . . . . 3.6000000000000001 111.348 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -43.25 74.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.83 -0.623 . . . . 4.0899999999999999 110.795 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.9 mt -81.37 0.44 37.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.857 -0.61 . . . . 3.71 110.613 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 t30 74.86 -54.91 0.66 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.505 0.722 . . . . 4.1799999999999997 110.023 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.92 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.7 t80 61.09 111.75 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 122.073 0.939 . . . . 3.1000000000000001 111.773 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.627 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 2.6 pp -63.99 160.77 44.49 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.132 -0.94 . . . . 3.7000000000000002 111.624 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.627 ' HD2' ' HB ' ' A' ' 48' ' ' ILE . 61.4 Cg_endo -72.29 76.24 2.25 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.306 2.671 . . . . 3.6000000000000001 112.575 -179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -71.98 -29.3 64.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.607 -0.724 . . . . 5.1399999999999997 112.553 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.559 ' HD2' ' OP1' ' D' ' 12' ' ' ' DC' . 0.0 OUTLIER -137.73 -77.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.622 -0.674 . . . . 9.0 111.768 -179.34 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.13 114.41 0.79 Allowed 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.461 0.648 . . . . 5.8700000000000001 109.771 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.33 120.6 12.28 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 114.738 -1.119 . . . . 7.9500000000000002 110.627 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -133.47 -91.73 0.36 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.252 0.549 . . . . 10.550000000000001 109.663 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -116.41 -9.76 11.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.418 -0.81 . . . . 13.16 109.412 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.4 tp -166.52 164.05 17.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.012 -0.994 . . . . 12.140000000000001 108.663 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.13 -49.32 0.1 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.283 0.364 . . . . 14.140000000000001 110.316 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.34 158.82 53.73 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.749 -0.659 . . . . 16.039999999999999 112.72 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -127.65 116.14 19.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.807 0.337 . . . . 17.800000000000001 110.525 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -136.06 151.5 49.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.088 -0.505 . . . . 19.609999999999999 109.823 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -74.61 85.47 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.739 0.304 . . . . 20.57 110.855 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.0 tp . . . . . 0 N--CA 1.465 0.315 0 CA-C-N 115.941 -0.572 . . . . 21.890000000000001 111.706 179.448 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.5 mtm . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.076 0.465 . . . . 10.35 110.783 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 0.0 OUTLIER -128.47 116.33 19.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.74 -0.664 . . . . 8.3300000000000001 109.62 179.647 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 7.1 Cg_exo -74.25 161.01 41.4 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 123.238 2.625 . . . . 4.4900000000000002 113.317 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.63 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 73.4 t -127.9 140.45 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 CA-C-N 115.172 -0.922 . . . . 3.1600000000000001 109.166 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 31.9 p -98.49 156.47 16.76 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 106.651 -1.611 . . . . 3.1699999999999999 106.651 177.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.883 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -60.9 -21.67 63.58 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 118.356 -1.337 . . . . 2.5600000000000001 109.079 178.435 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -64.01 -40.24 95.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.671 -1.149 . . . . 4.2800000000000002 109.842 177.33 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.622 ' CB ' HG13 ' B' ' 4' ' ' VAL . 7.6 m-20 -61.83 -44.53 96.66 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 114.087 -1.415 . . . . 3.77 109.726 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' B' ' 42' ' ' MET . 70.8 t -68.55 -41.46 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.419 -0.81 . . . . 2.6800000000000002 109.076 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.491 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.87 -46.11 88.56 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.254 -1.339 . . . . 3.1299999999999999 111.467 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.06 -49.16 71.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.749 -0.659 . . . . 5.21 109.621 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.808 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 47.3 t80 -61.46 -28.1 69.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.837 -1.074 . . . . 3.6200000000000001 111.401 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.16 -26.51 25.12 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.764 0.792 . . . . 2.9399999999999999 108.986 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.13 32.71 11.81 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 114.284 -1.325 . . . . 3.6600000000000001 111.916 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.758 ' HB ' HG21 ' B' ' 19' ' ' THR . 8.1 m -139.78 150.38 22.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.131 -0.534 . . . . 3.5299999999999998 112.078 -176.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.566 ' O ' ' HB ' ' B' ' 19' ' ' THR . 1.1 m -49.97 154.8 1.03 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.374 0.607 . . . . 4.3799999999999999 110.656 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.883 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 66.3 t80 -51.25 -59.89 3.71 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 108.423 -0.954 . . . . 3.6200000000000001 108.423 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.768 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.0 OUTLIER -70.53 6.77 1.27 Allowed 'General case' 0 CA--C 1.482 -1.665 0 CA-C-N 115.179 -0.919 . . . . 5.04 112.518 178.038 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.758 HG21 ' HB ' ' B' ' 15' ' ' VAL . 18.7 m -72.66 -64.35 0.98 Allowed 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 101.675 -3.454 . . . . 3.7799999999999998 101.675 170.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.737 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.2 m -75.79 -31.1 22.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 CA-C-N 112.845 -1.979 . . . . 2.9300000000000002 114.291 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.768 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 36.2 t -61.43 -33.19 73.3 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.559 -0.713 . . . . 3.23 109.409 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.495 HH12 ' C7 ' ' D' ' 4' ' ' ' DT' . 0.0 OUTLIER -66.96 -33.57 75.86 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.035 -1.469 . . . . 5.4000000000000004 107.035 178.295 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 1.085 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 93.6 t -66.09 -50.98 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 113.605 -1.634 . . . . 3.1800000000000002 109.528 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.24 -20.19 26.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.549 -1.205 . . . . 3.1200000000000001 112.741 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.442 ' O ' ' HG2' ' B' ' 26' ' ' GLN . 4.4 m-80 -99.48 -10.21 22.43 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.44 -0.904 . . . . 4.0700000000000003 113.3 -176.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' B' ' 25' ' ' ASN . 3.0 mm-40 170.89 -53.67 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.909 0.756 . . . . 6.0300000000000002 110.734 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 1.085 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 62.99 31.98 15.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.968 -1.015 . . . . 4.4800000000000004 112.07 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -18.11 62.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.26 0.553 . . . . 5.6900000000000004 111.215 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -130.27 88.75 2.69 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.088 -0.708 . . . . 6.5300000000000002 109.088 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.608 ' HA ' " H3'" ' D' ' 2' ' ' ' DG' . 10.0 p -165.94 168.64 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.573 0.225 . . . . 4.4299999999999997 110.961 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.471 ' N ' HG22 ' B' ' 30' ' ' VAL . 3.7 p -94.71 176.69 6.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 3.96 111.574 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -70.84 -69.63 0.35 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.305 0.854 . . . . 3.3100000000000001 113.305 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.431 ' HA ' ' OE1' ' B' ' 36' ' ' GLU . 7.3 pttp -48.57 -33.19 9.27 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.022 0.749 . . . . 4.9000000000000004 113.022 -177.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.705 ' O ' HG13 ' B' ' 38' ' ' VAL . 87.2 m -60.57 -51.82 67.8 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 120.83 -0.348 . . . . 3.1299999999999999 110.723 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.427 ' HA ' HG22 ' B' ' 38' ' ' VAL . 18.6 mtm180 -63.44 -35.51 80.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 3.9100000000000001 110.409 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 41.1 mt-10 -66.83 -34.4 77.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.662 -0.699 . . . . 2.9399999999999999 111.023 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -82.14 -40.28 22.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.255 -0.429 . . . . 3.1000000000000001 111.465 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.851 HG21 HG11 ' B' ' 23' ' ' VAL . 4.3 m -67.86 -45.82 83.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.598 -0.519 . . . . 2.3300000000000001 109.598 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.416 ' N ' HG23 ' B' ' 38' ' ' VAL . 3.3 mt-10 -62.74 -38.0 88.81 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.462 -0.57 . . . . 3.0 109.462 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.667 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.73 -54.18 43.09 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.382 -0.969 . . . . 2.6499999999999999 108.382 177.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.808 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.08 -51.26 58.81 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.502 -0.772 . . . . 2.6800000000000002 113.031 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.441 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.8 ptp -64.43 -32.17 73.68 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.988 -0.285 . . . . 2.7400000000000002 110.334 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 -45.31 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 3.4300000000000002 111.062 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.667 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 8.8 mm-40 -66.53 -44.82 81.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.746 -0.661 . . . . 3.8100000000000001 110.711 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 9.2 mt -81.31 -0.04 39.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.702 -0.681 . . . . 3.4700000000000002 110.671 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.0 t30 72.7 -46.76 0.66 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.556 0.742 . . . . 4.3899999999999997 110.495 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.74 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 2.7 t80 53.97 82.49 0.08 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.632 0.73 . . . . 2.9700000000000002 112.14 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' B' ' 48' ' ' ILE . 4.9 tp -89.28 122.0 68.95 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 115.527 -0.76 . . . . 3.9700000000000002 110.081 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 48' ' ' ILE . 1.7 Cg_endo -83.04 65.38 7.95 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.823 2.349 . . . . 3.6600000000000001 112.376 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.452 ' HB3' ' H ' ' B' ' 51' ' ' ARG . 0.2 OUTLIER -163.34 -122.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.818 0.342 . . . . 5.1100000000000003 110.349 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.452 ' H ' ' HB3' ' B' ' 50' ' ' ASN . 5.8 tpt180 -178.43 -57.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.992 -0.744 . . . . 8.3200000000000003 108.992 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.61 -86.24 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.629 -0.714 . . . . 6.1200000000000001 110.105 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.09 65.68 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.592 -0.443 . . . . 7.4400000000000004 111.822 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 49' ' ' PRO . 18.6 mt-30 -83.29 -42.16 17.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.155 0.502 . . . . 10.52 109.822 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -111.17 22.93 14.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.629 -0.714 . . . . 12.48 109.614 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.3 mt -127.03 162.08 26.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.247 -0.888 . . . . 11.92 109.965 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.31 75.82 5.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.967 0.413 . . . . 12.460000000000001 111.1 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -138.51 45.61 1.03 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.966 -0.635 . . . . 14.220000000000001 111.878 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -89.64 149.07 22.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.878 0.37 . . . . 16.629999999999999 110.448 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.472 ' HB2' HE21 ' B' ' 60' ' ' GLN . 0.1 OUTLIER -109.89 10.62 24.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.594 0.712 . . . . 18.329999999999998 109.133 179.002 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.11 164.87 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.02 -0.991 . . . . 19.620000000000001 110.63 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 30.8 tp . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.651 -0.69 . . . . 21.170000000000002 110.158 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-C2' 107.046 0.86 . . . . 7.0199999999999996 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.435 " H3'" ' N ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-N19 109.341 1.926 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 P-O5'-C5' 118.224 -1.673 . . . . 5.9000000000000004 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O3'-P-O5' 100.439 -1.874 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C1'-N19 108.921 1.401 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 109.378 1.973 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 O4'-C1'-N19 109.454 2.067 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O4'-C1'-N19 109.24 1.799 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.4 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O3'-P-O5' 100.876 -1.644 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.414 ' C8 ' ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-N19 108.922 1.402 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.414 ' H72' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.42 -0.817 0 O4'-C1'-N19 109.992 2.74 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.425 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O3'-P-O5' 99.292 -2.478 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.425 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O3'-P-O5' 100.276 -1.96 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.03 0 O3'-P-O5' 100.533 -1.825 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 O4'-C1'-N19 109.247 1.808 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-N19 109.332 1.915 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-N19 108.914 1.393 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-C2' 107.179 0.981 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.533 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-N19 108.915 1.394 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.608 " H3'" ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-N19 109.267 1.834 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.462 H2'' ' OP2' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.064 0 O4'-C1'-N19 109.607 2.259 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.495 ' C7 ' HH12 ' B' ' 22' ' ' ARG . . . . . . . . 0 O5'--C5' 1.431 -0.541 0 O3'-P-O5' 100.014 -2.098 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . 0.413 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 108.928 1.41 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-N19 109.48 2.1 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 O4'-C1'-N19 109.577 2.222 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.414 " C2'" ' H72' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O3'-P-O5' 100.512 -1.836 . . . . 7.7699999999999996 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.42 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O3'-P-O5' 100.591 -1.794 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . 0.441 ' C8 ' ' H72' ' D' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-N19 109.034 1.543 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . 0.449 " H2'" ' OH ' ' A' ' 17' ' ' TYR . . . . . . . . 0 O3'--C3' 1.419 -0.91 0 O4'-C1'-N19 109.944 2.68 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . 0.559 ' OP1' ' HD2' ' A' ' 51' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O3'-P-O5' 100.078 -2.064 . . . . 4.5800000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . 0.42 " C2'" ' H72' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O3'-P-O5' 100.282 -1.957 . . . . 5.6500000000000004 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.42 ' H72' " C2'" ' D' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O3'-P-O5' 100.629 -1.774 . . . . 7.2400000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O3'-P-O5' 100.89 -1.637 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-N19 109.146 1.682 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O3'-P-O5' 101.583 -1.272 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 107.01 0.827 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.788 -0.449 . . . . 8.1099999999999994 109.788 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -130.61 136.66 29.3 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.745 0.307 . . . . 7.29 110.211 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.775 ' HG3' ' HB3' ' A' ' 50' ' ' ASN . 43.2 Cg_endo -92.4 -153.69 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.006 2.471 . . . . 4.3700000000000001 112.106 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.664 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 25.5 t -100.63 147.52 7.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 122.006 0.908 . . . . 3.4500000000000002 112.09 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.1 p -122.4 162.87 20.81 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 105.796 -1.927 . . . . 3.5499999999999998 105.796 176.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.61 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.7 mt -59.21 -23.45 62.29 Favored 'General case' 0 C--N 1.308 -1.225 0 C-N-CA 119.542 -0.863 . . . . 2.8500000000000001 111.151 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -65.22 -39.38 92.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.714 0.769 . . . . 4.3899999999999997 110.023 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.658 ' HB2' HG13 ' A' ' 4' ' ' VAL . 41.0 m-20 -66.07 -44.42 84.52 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.441 -1.254 . . . . 4.1299999999999999 109.818 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.543 HG13 ' HB3' ' A' ' 41' ' ' ALA . 91.2 t -68.07 -41.19 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 CA-C-N 115.536 -0.757 . . . . 2.9100000000000001 109.227 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.19 -48.11 81.36 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.577 -1.192 . . . . 3.1400000000000001 111.256 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.71 -48.42 63.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.958 -0.564 . . . . 5.2400000000000002 109.494 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.785 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.3 t80 -60.65 -27.76 68.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 3.8199999999999998 111.6 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.446 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.54 -27.87 27.05 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.691 0.758 . . . . 2.8700000000000001 109.539 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.74 34.46 9.12 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 114.75 -1.114 . . . . 3.2799999999999998 110.997 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.842 HG11 HG23 ' A' ' 34' ' ' THR . 4.5 m -139.33 146.88 24.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.395 -0.902 . . . . 3.3900000000000001 109.938 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 m -55.68 151.95 10.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.6 0.714 . . . . 4.3399999999999999 110.478 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.603 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.0 t80 -54.1 -50.89 65.82 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.625 -1.17 . . . . 3.71 111.372 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.421 ' HG2' ' N6 ' ' C' ' 6' ' ' ' DA' . 0.5 OUTLIER -58.8 -27.61 65.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.008 -0.997 . . . . 5.5 111.572 -179.626 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.2 m -67.28 -61.69 1.79 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.435 -0.348 . . . . 3.6499999999999999 111.077 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.668 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -65.74 -28.85 45.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 2.8500000000000001 111.861 -178.177 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.0 m -56.96 -45.25 82.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.084 0.469 . . . . 3.1899999999999999 109.807 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.427 ' HG3' ' HB2' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -70.79 -28.79 64.92 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.362 -0.607 . . . . 4.4400000000000004 109.362 178.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 19' ' ' THR . 91.4 t -68.05 -43.36 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 114.924 -1.035 . . . . 2.9100000000000001 110.151 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.7 t -63.93 -22.1 30.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-O 121.512 0.672 . . . . 2.7200000000000002 109.56 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.487 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 5.5 m-80 -93.37 -1.48 55.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.554 -0.748 . . . . 3.6800000000000002 109.978 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 85.9 mt-30 84.42 -48.95 0.11 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.518 -1.219 . . . . 6.0800000000000001 110.62 177.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.427 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . . . 61.21 -101.42 0.11 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.677 -0.692 . . . . 4.6299999999999999 111.194 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 p -175.55 -59.73 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.843 0.354 . . . . 5.0899999999999999 111.882 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.532 ' HB3' ' OP2' ' C' ' 2' ' ' ' DG' . 35.0 m-70 -87.93 -121.27 0.04 OUTLIER 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.124 0.416 . . . . 5.7999999999999998 112.124 -178.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.413 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 23.7 t 72.15 151.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 123.588 0.755 . . . . 4.2300000000000004 109.785 -178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.72 154.9 28.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.334 0.588 . . . . 3.6600000000000001 111.876 -178.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.16 -66.48 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.759 -1.109 . . . . 3.2799999999999998 112.257 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -55.11 -29.08 56.92 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 112.691 0.626 . . . . 4.5899999999999999 112.691 -178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.842 HG23 HG11 ' A' ' 15' ' ' VAL . 61.6 m -70.78 -43.19 69.24 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 120.911 -0.316 . . . . 2.8599999999999999 111.313 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' O ' HG22 ' A' ' 38' ' ' VAL . 15.9 mtm180 -67.33 -38.21 84.53 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 108.472 -0.936 . . . . 4.1600000000000001 108.472 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -67.62 -30.58 70.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.6 -1.182 . . . . 3.5499999999999998 109.738 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.17 -46.75 55.08 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.877 -0.601 . . . . 2.8399999999999999 110.0 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 34' ' ' THR . 1.3 m -65.84 -46.23 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 108.898 -0.778 . . . . 2.2599999999999998 108.898 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 13.3 mt-10 -60.2 -40.62 90.72 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.714 -0.676 . . . . 3.27 109.657 178.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.802 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -63.16 -55.34 26.02 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.653 -0.869 . . . . 2.8599999999999999 108.653 177.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.785 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.37 -51.26 47.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.82 0.674 . . . . 2.8900000000000001 112.82 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.427 ' HE3' ' O ' ' A' ' 38' ' ' VAL . 13.0 ptp -65.34 -32.14 73.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.677 -0.409 . . . . 2.8799999999999999 110.204 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.63 -46.36 59.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.841 0.353 . . . . 3.6000000000000001 110.972 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.802 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 4.2 mm-40 -66.14 -44.46 84.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.824 -0.625 . . . . 4.0899999999999999 110.283 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 11.1 mt -80.45 -0.48 37.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.785 -0.643 . . . . 3.71 110.193 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.6 t30 71.49 -42.73 0.54 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.874 0.87 . . . . 4.1799999999999997 110.903 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.664 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 1.2 t80 53.88 83.26 0.07 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.763 0.792 . . . . 3.1000000000000001 110.495 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.468 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -114.28 128.7 25.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 114.987 -1.006 . . . . 3.7000000000000002 111.032 -178.596 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 7.4 Cg_exo -73.27 111.71 3.35 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.856 2.371 . . . . 3.6000000000000001 110.783 178.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.775 ' HB3' ' HG3' ' A' ' 3' ' ' PRO . 10.6 t-20 -97.68 -69.62 0.75 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.437 -0.347 . . . . 5.1399999999999997 111.517 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 61.0 22.94 13.14 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 111.959 0.355 . . . . 9.0 111.959 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.611 ' SG ' ' HG2' ' B' ' 51' ' ' ARG . 99.4 m -112.64 97.64 6.71 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 122.308 1.051 . . . . 5.8700000000000001 109.05 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.2 96.78 0.08 Allowed 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 113.298 -1.773 . . . . 7.9500000000000002 111.823 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -94.1 -76.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.99 -0.55 . . . . 10.550000000000001 110.126 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -84.58 6.81 22.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.845 -0.616 . . . . 13.16 110.442 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.7 mt -93.46 11.56 28.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.001 -0.545 . . . . 12.140000000000001 110.23 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.77 12.36 22.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.005 -0.543 . . . . 14.140000000000001 111.099 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.74 166.1 20.94 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.656 -0.783 . . . . 16.039999999999999 112.489 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt 63.54 36.59 11.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.118 0.485 . . . . 17.800000000000001 111.256 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -77.88 -13.76 59.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.737 -0.665 . . . . 19.609999999999999 110.893 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.16 63.43 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 20.57 110.99 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.097 -0.501 . . . . 21.890000000000001 110.856 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.4 mtt . . . . . 0 C--O 1.233 0.212 0 CA-C-O 121.556 0.693 . . . . 10.35 109.358 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.762 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 50.0 mtpt -112.82 -55.06 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 114.99 -1.005 . . . . 8.3300000000000001 109.78 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.762 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 83.5 Cg_endo -97.13 -159.96 0.05 OUTLIER 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.778 2.319 . . . . 4.4900000000000002 112.52 178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.6 HG13 ' HB2' ' B' ' 8' ' ' ASP . 63.9 t -63.39 144.75 14.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.993 0.902 . . . . 3.1600000000000001 111.916 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.0 p -107.27 157.03 18.24 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 105.841 -1.911 . . . . 3.1699999999999999 105.841 176.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 1.015 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 0.9 OUTLIER -61.1 -20.25 62.41 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 118.731 -1.188 . . . . 2.5600000000000001 109.339 178.53 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.35 -38.2 90.2 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.761 -1.109 . . . . 4.2800000000000002 109.807 177.413 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.6 ' HB2' HG13 ' B' ' 4' ' ' VAL . 9.4 m-20 -65.44 -44.65 86.61 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 113.928 -1.487 . . . . 3.77 109.679 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' B' ' 42' ' ' MET . 76.8 t -67.74 -41.76 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-N 115.245 -0.888 . . . . 2.6800000000000002 109.628 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.471 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -60.02 -47.13 87.12 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.324 -1.307 . . . . 3.1299999999999999 111.413 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.4 -48.14 76.52 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.817 -0.629 . . . . 5.21 109.328 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.825 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 42.8 t80 -61.56 -27.11 68.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.955 -1.02 . . . . 3.6200000000000001 111.45 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.712 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -85.93 -25.87 25.85 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.515 0.674 . . . . 2.9399999999999999 109.708 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.19 32.37 12.4 Favored Glycine 0 CA--C 1.5 -0.861 0 CA-C-N 114.863 -1.062 . . . . 3.6600000000000001 111.077 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.631 ' HB ' HG21 ' B' ' 19' ' ' THR . 5.1 m -141.83 150.82 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.073 -1.064 . . . . 3.5299999999999998 111.389 -177.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.451 ' HB2' ' OG1' ' B' ' 19' ' ' THR . 16.0 m -49.7 155.89 0.76 Allowed 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.78 0.8 . . . . 4.3799999999999999 110.472 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.814 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 70.4 t80 -53.41 -58.43 7.13 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 114.664 -1.153 . . . . 3.6200000000000001 109.393 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.909 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.347 0.0 OUTLIER -79.73 21.57 0.52 Allowed 'General case' 0 C--O 1.261 1.66 0 N-CA-C 114.172 1.175 . . . . 5.04 114.172 177.397 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.631 HG21 ' HB ' ' B' ' 15' ' ' VAL . 100.0 m -79.98 -60.63 2.26 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 101.284 -3.599 . . . . 3.7799999999999998 101.284 169.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.806 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.5 m -73.78 -31.85 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-N 111.866 -2.425 . . . . 2.9300000000000002 113.073 176.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.909 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 48.4 t -64.47 -35.58 81.4 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 121.689 -0.632 . . . . 3.23 109.36 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.668 ' HB3' ' HB2' ' B' ' 27' ' ' ALA . 34.9 mtp180 -64.04 -38.97 93.01 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 106.226 -1.768 . . . . 5.4000000000000004 106.226 176.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.762 ' HB ' ' O ' ' B' ' 20' ' ' VAL . 93.1 t -58.59 -51.9 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-N 114.227 -1.352 . . . . 3.1800000000000002 108.756 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 51.2 t -68.05 -14.29 18.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 114.721 -1.127 . . . . 3.1200000000000001 111.544 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 3.8 m-80 -105.85 8.8 32.89 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 121.345 -0.847 . . . . 4.0700000000000003 111.199 -177.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 28.7 mm-40 72.87 61.27 0.11 Allowed 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 122.118 0.961 . . . . 6.0300000000000002 109.075 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.668 ' HB2' ' HB3' ' B' ' 22' ' ' ARG . . . -65.13 127.08 30.17 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 113.966 -1.47 . . . . 4.4800000000000004 110.662 -179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.1 p -71.33 -21.54 62.04 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.594 0.59 . . . . 5.6900000000000004 112.594 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -142.33 96.55 2.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 112.178 0.436 . . . . 6.5300000000000002 112.178 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 m -144.04 169.76 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.422 -0.808 . . . . 4.4299999999999997 109.291 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.574 ' O ' ' HD3' ' B' ' 35' ' ' ARG . 0.3 OUTLIER -99.79 159.46 15.04 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.437 -0.505 . . . . 3.96 111.881 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.33 -67.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.355 -0.838 . . . . 3.3100000000000001 113.235 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' B' ' 33' ' ' LYS . 0.5 OUTLIER -44.9 -50.03 10.65 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 112.65 0.611 . . . . 4.9000000000000004 112.65 -178.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 1.017 ' HA ' ' HD2' ' B' ' 37' ' ' LYS . 25.9 m -49.9 -43.67 49.63 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.773 -0.649 . . . . 3.1299999999999999 111.58 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.574 ' HD3' ' O ' ' B' ' 31' ' ' SER . 11.2 mtp180 -65.46 -39.75 92.39 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.473 -0.565 . . . . 3.9100000000000001 109.473 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -67.64 -32.65 73.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.279 -0.873 . . . . 2.9399999999999999 110.463 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 1.017 ' HD2' ' HA ' ' B' ' 34' ' ' THR . 2.4 ptmt -72.99 -43.38 62.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 3.1000000000000001 110.105 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.806 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.8 m -69.77 -41.93 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.147 -0.686 . . . . 2.3300000000000001 109.147 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 5.1 mt-10 -58.85 -42.69 89.94 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.444 -0.798 . . . . 3.0 109.069 177.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.605 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -62.98 -52.77 61.71 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 109.033 -0.728 . . . . 2.6499999999999999 109.033 177.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.825 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -51.98 -51.48 56.93 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 113.173 0.805 . . . . 2.6800000000000002 113.173 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.494 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.1 ptp -64.84 -32.33 73.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.585 0.231 . . . . 2.7400000000000002 110.503 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.46 -42.59 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 3.4300000000000002 111.333 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' B' ' 40' ' ' ALA . 4.8 mm-40 -69.22 -43.88 73.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.374 0.607 . . . . 3.8100000000000001 110.621 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt -80.92 1.12 32.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.254 -0.885 . . . . 3.4700000000000002 110.776 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.539 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 5.5 t-20 78.44 -56.44 0.47 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.835 0.709 . . . . 4.3899999999999997 110.909 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 1.015 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 4.4 t80 47.0 95.71 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.932 0.77 . . . . 2.9700000000000002 112.101 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.18 155.8 91.39 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.664 -0.698 . . . . 3.9700000000000002 111.693 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -91.89 127.34 0.97 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.678 2.919 . . . . 3.6600000000000001 112.6 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -148.03 93.52 2.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.384 -0.371 . . . . 5.1100000000000003 110.186 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.611 ' HG2' ' SG ' ' A' ' 52' ' ' CYS . 39.4 ttt180 -170.01 -80.61 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.926 -0.579 . . . . 8.3200000000000003 110.009 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 60.3 m -138.19 100.64 4.19 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.286 0.565 . . . . 6.1200000000000001 109.776 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 63.74 -100.2 0.08 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.132 -1.395 . . . . 7.4400000000000004 111.722 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -159.95 -161.94 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.755 -0.461 . . . . 10.52 109.755 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.464 ' HG3' ' HG ' ' B' ' 56' ' ' LEU . 10.0 pt20 -66.58 -12.88 59.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.983 0.42 . . . . 12.48 111.192 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.464 ' HG ' ' HG3' ' B' ' 55' ' ' GLN . 86.9 mt -113.02 74.44 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.307 -0.406 . . . . 11.92 110.346 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.78 3.64 12.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.941 -0.572 . . . . 12.460000000000001 110.82 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -147.86 130.35 3.48 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.877 -0.677 . . . . 14.220000000000001 112.076 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' B' ' 62' ' ' LEU . 60.2 tttp -151.14 124.05 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.985 -0.376 . . . . 16.629999999999999 109.985 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.48 ' HB3' ' H ' ' B' ' 61' ' ' SER . 5.2 tm0? -140.39 -87.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.778 0.323 . . . . 18.329999999999998 111.125 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.48 ' H ' ' HB3' ' B' ' 60' ' ' GLN . 0.5 OUTLIER -91.17 16.24 10.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.318 -0.401 . . . . 19.620000000000001 111.86 -178.676 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.473 ' O ' ' HG3' ' B' ' 59' ' ' LYS . 27.5 tp . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.1 -0.952 . . . . 21.170000000000002 109.825 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.47 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.579 0 O4'-C1'-N19 108.662 1.078 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.532 ' OP2' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.421 -1.191 0 O4'-C1'-N19 109.496 2.12 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O3'-P-O5' 100.945 -1.608 . . . . 5.9000000000000004 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O3'-P-O5' 100.764 -1.703 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-N19 108.924 1.405 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . 0.421 ' N6 ' ' HG2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-N19 109.412 2.015 . . . . 7.7999999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-N19 109.595 2.243 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.428 " C2'" ' H72' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 109.315 1.894 . . . . 7.6399999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.444 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O3'-P-O5' 101.188 -1.48 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.455 ' C8 ' ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-N19 109.068 1.585 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.455 ' H72' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 110.017 2.771 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O3'-P-O5' 99.517 -2.359 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.412 " C2'" ' H72' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.421 -0.8 0 O3'-P-O5' 99.861 -2.178 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.412 ' H72' " C2'" ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.153 0 C5'-C4'-C3' 112.023 -1.785 . . . . 7.6500000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 O3'-P-O5' 100.951 -1.605 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O3'-P-O5' 100.531 -1.826 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O3'-P-O5' 101.416 -1.36 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 N19-C1'-C2' 115.684 0.927 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.52 HO5' ' H6 ' ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-N19 108.539 0.924 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.428 H2'' ' OP2' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C1'-N19 109.649 2.311 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.492 H2'' ' OP2' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-N19 109.627 2.284 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.492 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.523 -0.528 0 O3'-P-O5' 100.421 -1.884 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . 0.407 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-N19 108.815 1.269 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 109.517 2.146 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-N19 109.523 2.154 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C1'-N19 109.256 1.82 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.421 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O3'-P-O5' 100.745 -1.713 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . 0.421 ' C8 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-N19 108.907 1.384 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C1'-N19 109.875 2.594 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O3'-P-O5' 100.216 -1.992 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . 0.423 " C2'" ' H72' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O3'-P-O5' 100.147 -2.028 . . . . 5.6500000000000004 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.423 ' H72' " C2'" ' D' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.033 0 O3'-P-O5' 100.699 -1.737 . . . . 7.2400000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C1'-N19 109.142 1.677 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-N19 109.159 1.699 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O3'-P-O5' 101.34 -1.4 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C4'-C3'-C2' 102.347 -0.853 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 tmm? . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.644 0.259 . . . . 8.1099999999999994 110.423 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 65.6 mttt -103.63 145.85 31.39 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 110.178 -0.305 . . . . 7.29 110.178 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 12.5 Cg_exo -72.2 179.2 5.18 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.154 2.569 . . . . 4.3700000000000001 113.163 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.875 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 87.0 t -107.53 151.29 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.157 -0.929 . . . . 3.4500000000000002 111.058 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.1 p -113.26 163.44 14.8 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 106.697 -1.594 . . . . 3.5499999999999998 106.697 176.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.731 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 3.1 mt -59.98 -24.23 64.26 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 119.108 -1.037 . . . . 2.8500000000000001 111.195 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -64.87 -39.95 94.35 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.87 0.843 . . . . 4.3899999999999997 110.649 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.772 ' HB2' HG13 ' A' ' 4' ' ' VAL . 47.3 m-20 -65.66 -43.45 89.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 113.999 -1.455 . . . . 4.1299999999999999 110.178 -177.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.462 HG13 ' HB3' ' A' ' 41' ' ' ALA . 78.9 t -68.8 -41.99 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.64 0.733 . . . . 2.9100000000000001 109.052 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.622 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -56.74 -48.89 76.76 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.318 -1.31 . . . . 3.1400000000000001 111.498 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.33 -49.23 70.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 115.659 -0.701 . . . . 5.2400000000000002 109.547 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.755 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 56.4 t80 -61.94 -29.92 70.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 3.8199999999999998 111.654 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -79.92 -27.12 39.92 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.73 0.776 . . . . 2.8700000000000001 109.265 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.8 33.02 10.27 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.624 -1.171 . . . . 3.2799999999999998 110.488 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.64 HG11 HG23 ' A' ' 34' ' ' THR . 4.5 m -139.27 145.7 26.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 114.055 -1.072 . . . . 3.3900000000000001 109.858 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 m -56.26 152.39 11.12 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.76 0.79 . . . . 4.3399999999999999 110.737 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.637 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 75.9 t80 -52.82 -51.12 62.09 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.379 -1.282 . . . . 3.71 111.618 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.98 -22.98 63.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.107 -0.951 . . . . 5.5 111.878 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.601 ' O ' HG23 ' A' ' 23' ' ' VAL . 6.4 m -70.54 -62.17 1.49 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.406 -0.361 . . . . 3.6499999999999999 110.776 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.622 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.12 -29.8 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.56 0.578 . . . . 2.8500000000000001 112.56 -178.53 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -58.14 -42.34 85.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.258 0.551 . . . . 3.1899999999999999 109.76 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.532 ' HG2' ' HA ' ' A' ' 27' ' ' ALA . 2.2 ttm180 -70.03 -30.75 68.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.967 -0.753 . . . . 4.4400000000000004 108.967 178.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.991 HG11 HG21 ' A' ' 38' ' ' VAL . 74.3 t -65.25 -47.79 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.925 -1.034 . . . . 2.9100000000000001 109.721 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.74 -20.98 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.572 -0.74 . . . . 2.7200000000000002 110.096 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.627 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -85.3 -12.41 52.4 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.834 -0.346 . . . . 3.6800000000000002 111.388 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.627 ' HB3' ' O ' ' A' ' 25' ' ' ASN . 1.5 pt20 131.7 -23.11 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 125.82 1.648 . . . . 6.0800000000000001 110.476 177.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.844 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 67.58 -175.29 0.19 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.731 -0.668 . . . . 4.6299999999999999 111.689 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 p -162.71 -60.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.158 0.504 . . . . 5.0899999999999999 110.853 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.5 90.62 3.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.217 0.532 . . . . 5.7999999999999998 109.651 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.55 156.81 8.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 114.789 -1.096 . . . . 4.2300000000000004 109.458 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.412 ' N ' " H3'" ' C' ' 2' ' ' ' DG' . 54.0 m -76.86 169.36 18.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.064 0.459 . . . . 3.6600000000000001 110.998 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.3 -58.39 4.9 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.693 -0.685 . . . . 3.2799999999999998 110.587 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -53.73 -28.81 36.35 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.406 0.441 . . . . 4.5899999999999999 111.829 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.686 ' O ' HG13 ' A' ' 38' ' ' VAL . 6.6 m -63.78 -51.45 64.75 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 116.818 -0.173 . . . . 2.8599999999999999 111.349 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 21.8 mtm180 -64.78 -37.35 87.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.844 0.354 . . . . 4.1600000000000001 110.082 -178.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.97 -30.56 70.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.628 -0.715 . . . . 3.5499999999999998 109.795 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -76.82 -45.72 27.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.843 -0.617 . . . . 2.8399999999999999 110.439 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.991 HG21 HG11 ' A' ' 23' ' ' VAL . 2.3 m -64.3 -46.44 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.213 -0.662 . . . . 2.2599999999999998 109.213 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 4.7 mt-10 -58.7 -42.63 89.03 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.611 -0.722 . . . . 3.27 109.412 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.4 26.0 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.348 -0.612 . . . . 2.8599999999999999 109.348 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.755 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -50.56 -51.49 47.61 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 113.455 0.909 . . . . 2.8900000000000001 113.455 -178.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.42 ' HA ' HG22 ' A' ' 9' ' ' VAL . 16.5 ptp -64.37 -31.83 73.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.991 -0.374 . . . . 2.8799999999999999 109.991 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.68 -47.36 47.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 3.6000000000000001 111.186 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -44.52 80.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.682 -0.69 . . . . 4.0899999999999999 110.961 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 10.2 mt -81.12 -1.54 44.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.183 -0.462 . . . . 3.71 110.627 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 2.9 t-20 72.97 -40.11 0.47 Allowed 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.845 0.716 . . . . 4.1799999999999997 109.736 -178.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.875 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 0.8 OUTLIER 70.63 -64.52 0.37 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.219 1.008 . . . . 3.1000000000000001 110.689 178.703 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 48' ' ' ILE . 9.9 tp 35.27 90.47 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 124.235 1.014 . . . . 3.7000000000000002 113.479 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -72.8 116.62 4.79 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.724 2.283 . . . . 3.6000000000000001 112.173 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -65.68 -17.05 64.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.25 0.548 . . . . 5.1399999999999997 110.718 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -105.36 12.79 31.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.501 . . . . 9.0 111.227 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' B' ' 51' ' ' ARG . 3.5 m -161.26 105.67 1.32 Allowed 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.374 0.607 . . . . 5.8700000000000001 110.306 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.596 ' HB1' ' HB3' ' B' ' 57' ' ' ALA . . . -64.25 95.07 0.12 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.796 -1.093 . . . . 7.9500000000000002 111.342 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 55' ' ' GLN . 11.8 mm100 -131.86 147.37 52.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.74 -0.664 . . . . 10.550000000000001 109.369 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 11.4 mt-30 77.77 -23.09 0.26 Allowed 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.949 0.78 . . . . 13.16 111.614 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.7 tp -72.95 94.04 1.8 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.905 0.383 . . . . 12.140000000000001 110.958 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.76 -87.89 0.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.915 -0.584 . . . . 14.140000000000001 110.153 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.32 -65.81 2.68 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 121.223 -0.513 . . . . 16.039999999999999 113.526 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -106.64 -69.17 0.84 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.955 0.407 . . . . 17.800000000000001 110.781 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -140.02 173.34 11.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.022 -0.536 . . . . 19.609999999999999 109.626 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 m -150.88 173.83 13.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.42 0.152 . . . . 20.57 110.758 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 N--CA 1.465 0.298 0 O-C-N 123.695 0.622 . . . . 21.890000000000001 111.209 179.82 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 C--O 1.233 0.22 0 CA-C-O 121.011 0.434 . . . . 10.35 110.792 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -92.9 127.09 49.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.915 -0.584 . . . . 8.3300000000000001 109.9 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.76 -40.34 85.78 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.993 2.462 . . . . 4.4900000000000002 113.413 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.661 HG13 ' HB2' ' B' ' 8' ' ' ASP . 27.7 t -144.1 142.17 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 122.169 0.985 . . . . 3.1600000000000001 112.184 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.605 HG22 ' OP1' ' C' ' 11' ' ' ' DT' . 0.3 OUTLIER -114.24 157.89 22.11 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 105.7 -1.963 . . . . 3.1699999999999999 105.7 176.129 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.952 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.1 mt -60.6 -19.3 57.38 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.878 -1.129 . . . . 2.5600000000000001 110.168 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.401 ' HD1' ' HA ' ' B' ' 7' ' ' TYR . 0.2 OUTLIER -65.74 -38.77 90.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.704 -1.135 . . . . 4.2800000000000002 110.346 177.338 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.661 ' HB2' HG13 ' B' ' 4' ' ' VAL . 19.8 m-20 -66.4 -42.13 88.31 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 114.828 -1.078 . . . . 3.77 109.961 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' B' ' 42' ' ' MET . 78.5 t -66.89 -41.31 87.44 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 CA-C-O 121.945 0.878 . . . . 2.6800000000000002 109.047 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' B' ' 15' ' ' VAL . . . -61.21 -46.71 89.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.039 -1.437 . . . . 3.1299999999999999 111.426 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -66.23 -47.88 72.35 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.092 -0.707 . . . . 5.21 109.092 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.774 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 53.1 t80 -60.51 -28.65 68.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.149 -0.932 . . . . 3.6200000000000001 111.008 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.23 -26.39 25.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.571 0.7 . . . . 2.9399999999999999 109.191 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.31 31.99 12.9 Favored Glycine 0 CA--C 1.504 -0.601 0 CA-C-N 114.551 -1.204 . . . . 3.6600000000000001 111.457 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.782 ' HB ' HG21 ' B' ' 19' ' ' THR . 12.1 m -140.39 151.11 21.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-N 114.616 -0.792 . . . . 3.5299999999999998 111.449 -176.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.451 ' O ' ' HB ' ' B' ' 19' ' ' THR . 2.0 p -52.48 162.29 0.57 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 121.577 0.703 . . . . 4.3799999999999999 110.892 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.849 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 75.4 t80 -55.9 -60.72 3.06 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.271 -1.331 . . . . 3.6200000000000001 111.701 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.937 ' HA ' ' HB3' ' B' ' 21' ' ' SER 0.276 0.0 OUTLIER -70.36 -3.15 16.06 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 124.489 1.118 . . . . 5.04 110.888 172.731 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.782 HG21 ' HB ' ' B' ' 15' ' ' VAL . 98.9 m -62.34 -60.4 3.61 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 102.076 -3.305 . . . . 3.7799999999999998 102.076 169.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.982 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.1 m -76.88 -36.9 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 114.553 1.316 . . . . 2.9300000000000002 114.553 177.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.937 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 43.3 t -57.8 -37.41 73.7 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.898 -0.501 . . . . 3.23 109.783 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.693 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.9 OUTLIER -65.55 -32.27 73.78 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 107.212 -1.403 . . . . 5.4000000000000004 107.212 177.311 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 1.013 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 53.9 t -66.23 -51.71 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 114.186 -1.37 . . . . 3.1800000000000002 109.538 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.88 -20.87 28.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 114.469 -1.241 . . . . 3.1200000000000001 111.777 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.53 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 2.6 m-80 -93.63 -11.38 31.8 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.033 -0.667 . . . . 4.0700000000000003 112.504 -177.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.53 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 1.1 pt20 156.7 -38.9 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 O-C-N 123.909 0.756 . . . . 6.0300000000000002 111.42 178.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 1.013 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 57.82 55.43 5.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.533 -0.758 . . . . 4.4800000000000004 111.384 -178.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -18.81 64.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.707 -0.678 . . . . 5.6900000000000004 111.399 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.665 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 75.3 m-70 -142.07 92.58 2.45 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 109.505 -0.554 . . . . 6.5300000000000002 109.505 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.648 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 12.3 m -149.5 174.48 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.691 0.282 . . . . 4.4299999999999997 111.105 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -103.96 -178.25 3.6 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.129 -0.487 . . . . 3.96 110.844 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.63 -74.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.925 -0.579 . . . . 3.3100000000000001 112.493 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -49.85 -35.97 25.19 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.534 0.568 . . . . 4.9000000000000004 112.534 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.721 ' O ' HG13 ' B' ' 38' ' ' VAL . 5.4 m -54.27 -50.79 66.43 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 111.684 0.253 . . . . 3.1299999999999999 111.684 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -60.9 -39.31 88.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.282 0.563 . . . . 3.9100000000000001 110.247 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.28 -37.06 80.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.173 -0.921 . . . . 2.9399999999999999 111.412 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -72.99 -44.21 61.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.33 -0.396 . . . . 3.1000000000000001 111.169 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.982 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -67.31 -46.24 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.802 -0.444 . . . . 2.3300000000000001 109.802 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.418 ' HA ' ' HG2' ' B' ' 42' ' ' MET . 1.4 mt-10 -62.79 -37.65 87.54 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.274 -0.639 . . . . 3.0 109.274 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.18 -55.71 29.08 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 108.252 -1.018 . . . . 2.6499999999999999 108.252 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.774 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -50.48 -51.38 47.62 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.612 -0.722 . . . . 2.6800000000000002 112.734 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.457 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.9 ptp -65.14 -32.59 74.35 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.769 -0.372 . . . . 2.7400000000000002 110.31 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.39 66.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.042 0.449 . . . . 3.4300000000000002 111.174 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.448 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 0.8 OUTLIER -67.75 -43.73 79.19 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.726 -0.67 . . . . 3.8100000000000001 110.21 -179.632 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 8.8 mt -80.39 -0.39 36.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.574 -0.739 . . . . 3.4700000000000002 110.295 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 32.7 t30 73.63 -47.25 0.65 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.578 0.751 . . . . 4.3899999999999997 110.204 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.952 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 3.4 t80 48.42 70.14 0.48 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.316 -0.857 . . . . 2.9700000000000002 112.457 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 6.3 tp -76.02 134.28 71.52 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 115.361 -0.836 . . . . 3.9700000000000002 110.195 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.62 40.0 0.93 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.894 2.396 . . . . 3.6600000000000001 112.739 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -83.64 74.84 10.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.625 -0.716 . . . . 5.1100000000000003 110.899 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.457 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -82.0 -30.82 31.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.55 -0.75 . . . . 8.3200000000000003 109.786 178.388 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 90.2 m -138.95 102.14 4.47 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.928 0.87 . . . . 6.1200000000000001 109.303 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.97 110.46 5.69 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 113.839 -1.528 . . . . 7.4400000000000004 112.12 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -168.54 -70.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.639 -0.709 . . . . 10.52 109.596 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -119.81 -35.77 3.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.184 -0.462 . . . . 12.48 110.493 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 19.3 tp 54.86 75.25 0.31 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.709 -0.678 . . . . 11.92 111.724 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.596 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . . . -78.85 -15.1 58.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.084 -0.507 . . . . 12.460000000000001 110.807 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.92 -72.73 2.68 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.098 -0.572 . . . . 14.220000000000001 112.616 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -84.8 110.78 19.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.865 0.364 . . . . 16.629999999999999 110.697 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -36.97 13.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.067 -0.515 . . . . 18.329999999999998 110.171 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.7 m -94.97 114.76 26.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.132 -0.486 . . . . 19.620000000000001 109.888 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 48.5 tp . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.384 -0.817 . . . . 21.170000000000002 110.269 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.606 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.577 0 O4'-C1'-N19 108.557 0.946 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.412 " H3'" ' N ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O4'-C1'-N19 109.397 1.997 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-N19 109.434 2.042 . . . . 5.9000000000000004 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O3'-P-O5' 101.087 -1.533 . . . . 5.9699999999999998 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-N19 108.996 1.494 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O4'-C1'-N19 109.532 2.165 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C1'-N19 109.596 2.244 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-N19 109.23 1.787 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.433 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O3'-P-O5' 100.979 -1.59 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.433 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-N19 108.922 1.402 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.605 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-N19 110.062 2.827 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.42 -0.838 0 O3'-P-O5' 99.583 -2.325 . . . . 4.8099999999999996 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 O3'-P-O5' 100.265 -1.966 . . . . 6.0800000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 O4'-C1'-N19 109.457 2.072 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C1'-N19 109.324 1.905 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O3'-P-O5' 100.58 -1.8 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O3'-P-O5' 101.48 -1.326 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 N19-C1'-C2' 116.01 1.131 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.406 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.586 0 O4'-C1'-N19 108.527 0.909 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.665 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O4'-C1'-N19 109.461 2.076 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.648 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-N19 110.241 3.051 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.503 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O3'-P-O5' 100.277 -1.959 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . 0.44 ' N7 ' ' C2 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-N19 108.772 1.215 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O4'-C1'-N19 109.498 2.122 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-N19 109.502 2.127 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 O4'-C1'-N19 109.317 1.896 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.416 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O3'-P-O5' 100.636 -1.77 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . 0.416 ' C8 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C1'-N19 108.909 1.386 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-N19 109.78 2.475 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O4'-C1'-N19 109.512 2.14 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 O3'-P-O5' 100.353 -1.919 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 O3'-P-O5' 100.698 -1.738 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 O4'-C1'-N19 109.245 1.807 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O4'-C1'-N19 109.258 1.822 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O3'-P-O5' 101.387 -1.375 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 107.048 0.862 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB3' ' H ' ' A' ' 2' ' ' LYS . 6.2 tpt . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.446 0.165 . . . . 8.1099999999999994 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.406 ' H ' ' HB3' ' A' ' 1' ' ' MET . 26.0 ttmt -109.63 126.53 28.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.135 -0.32 . . . . 7.29 110.135 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.46 -55.13 0.11 Allowed 'Trans proline' 0 CA--C 1.518 -0.283 0 C-N-CA 122.816 2.344 . . . . 4.3700000000000001 113.697 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.592 HG13 ' HB2' ' A' ' 8' ' ' ASP . 18.6 t -131.03 144.83 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 122.333 1.063 . . . . 3.4500000000000002 112.791 -178.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.99 159.09 24.49 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 105.71 -1.959 . . . . 3.5499999999999998 105.71 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.054 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.3 mt -58.31 -23.17 55.63 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 119.424 -0.91 . . . . 2.8500000000000001 111.742 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -64.9 -36.64 85.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.591 0.71 . . . . 4.3899999999999997 110.484 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.592 ' HB2' HG13 ' A' ' 4' ' ' VAL . 14.5 m-20 -65.19 -45.06 86.35 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 114.455 -1.248 . . . . 4.1299999999999999 110.573 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 41' ' ' ALA . 92.4 t -68.21 -40.62 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 CA-C-O 121.638 0.733 . . . . 2.9100000000000001 109.207 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.647 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -58.95 -48.09 82.78 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.44 -1.254 . . . . 3.1400000000000001 111.755 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.19 -48.15 68.81 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.363 -0.606 . . . . 5.2400000000000002 109.363 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.786 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 48.1 t80 -61.53 -28.93 69.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.235 -0.893 . . . . 3.8199999999999998 111.716 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.59 -26.82 29.69 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.907 0.861 . . . . 2.8700000000000001 109.785 -179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.27 35.91 8.51 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.746 -1.115 . . . . 3.2799999999999998 110.676 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.618 HG21 HG12 ' A' ' 38' ' ' VAL . 4.1 m -139.16 146.74 25.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 114.276 -0.962 . . . . 3.3900000000000001 109.959 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -56.28 148.23 19.07 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.548 0.69 . . . . 4.3399999999999999 109.989 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 70.6 t80 -50.63 -51.45 48.78 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 114.72 -1.127 . . . . 3.71 111.89 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -23.76 59.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.238 -0.892 . . . . 5.5 111.977 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 23' ' ' VAL . 19.0 m -69.58 -63.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.673 -0.24 . . . . 3.6499999999999999 110.552 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.647 HG11 ' HA ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -69.43 -30.11 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.313 -0.403 . . . . 2.8500000000000001 111.943 -179.024 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.546 ' HA ' HD13 ' A' ' 6' ' ' LEU . 28.9 t -58.24 -47.74 82.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.299 -0.63 . . . . 3.1899999999999999 109.299 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.717 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -70.6 -23.82 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.631 -0.713 . . . . 4.4400000000000004 109.56 179.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 38' ' ' VAL . 21.2 t -64.94 -50.94 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 108.711 -0.848 . . . . 2.9100000000000001 108.711 178.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -66.96 -21.08 27.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.478 -0.783 . . . . 2.7200000000000002 111.013 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.643 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 12.4 m-80 -101.25 14.56 31.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.224 0.454 . . . . 3.6800000000000002 112.224 -178.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.643 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 13.6 mm-40 88.59 98.29 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 O-C-N 124.329 1.018 . . . . 6.0800000000000001 110.448 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.717 ' HB2' ' HG2' ' A' ' 22' ' ' ARG . . . -115.53 127.69 55.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.621 -1.172 . . . . 4.6299999999999999 111.31 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.4 p -95.12 -38.43 10.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.963 -0.562 . . . . 5.0899999999999999 111.42 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.436 ' HA ' ' OP2' ' C' ' 2' ' ' ' DG' . 94.5 m-70 -102.22 79.68 1.89 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.075 -0.511 . . . . 5.7999999999999998 110.758 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -146.97 139.39 19.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.19 -0.913 . . . . 4.2300000000000004 110.238 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.41 ' N ' " H3'" ' C' ' 2' ' ' ' DG' . 5.4 m -70.88 164.4 25.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.086 0.469 . . . . 3.6600000000000001 111.596 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.643 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -63.68 -60.4 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.379 -0.828 . . . . 3.2799999999999998 110.15 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -49.75 -35.73 23.26 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.879 0.737 . . . . 4.5899999999999999 111.733 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.746 ' O ' HG13 ' A' ' 38' ' ' VAL . 3.6 m -60.98 -50.74 72.15 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.515 -0.311 . . . . 2.8599999999999999 111.175 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HA ' HG22 ' A' ' 38' ' ' VAL . 10.9 mtt180 -65.42 -34.19 77.7 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.271 -0.64 . . . . 4.1600000000000001 109.271 -178.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.643 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 30.7 mt-10 -63.82 -39.49 94.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.252 -0.885 . . . . 3.5499999999999998 110.924 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HE3' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -83.53 -36.94 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.984 -0.686 . . . . 2.8399999999999999 111.578 -179.56 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.914 HG21 HG11 ' A' ' 23' ' ' VAL . 4.5 m -62.19 -46.15 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 108.446 -0.946 . . . . 2.2599999999999998 108.446 178.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 20.7 mt-10 -62.82 -42.2 99.63 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.443 -0.799 . . . . 3.27 109.614 178.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.81 -55.88 28.68 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.812 -0.81 . . . . 2.8599999999999999 108.812 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.786 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -51.2 -51.65 51.86 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 113.043 0.757 . . . . 2.8900000000000001 113.043 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.413 ' N ' HG13 ' A' ' 9' ' ' VAL . 17.9 ptp -64.41 -31.87 73.25 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.809 -0.356 . . . . 2.8799999999999999 110.415 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.94 -44.78 63.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.064 0.459 . . . . 3.6000000000000001 111.049 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG3' ' HE2' ' A' ' 12' ' ' TYR . 0.8 OUTLIER -68.05 -44.32 76.66 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.772 -0.649 . . . . 4.0899999999999999 110.611 -179.213 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.4 mt -80.6 -0.32 37.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.644 -0.707 . . . . 3.71 110.405 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t30 73.72 -45.51 0.61 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.571 0.748 . . . . 4.1799999999999997 110.714 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 1.054 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 2.2 t80 50.72 65.39 1.48 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 122.006 0.908 . . . . 3.1000000000000001 111.108 178.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.467 HG13 ' HD2' ' A' ' 49' ' ' PRO . 2.8 tp -91.45 136.92 26.27 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 114.796 -1.093 . . . . 3.7000000000000002 110.875 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.467 ' HD2' HG13 ' A' ' 48' ' ' ILE . 40.5 Cg_endo -72.27 -59.12 0.06 OUTLIER 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.15 1.9 . . . . 3.6000000000000001 111.923 178.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -179.84 -108.68 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.076 -0.511 . . . . 5.1399999999999997 109.9 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.46 9.6 15.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 9.0 110.334 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 84.8 m -73.65 -31.15 63.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.6 -0.727 . . . . 5.8700000000000001 111.438 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 65.56 -153.16 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.657 -0.701 . . . . 7.9500000000000002 110.394 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -100.88 -53.0 3.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.998 0.428 . . . . 10.550000000000001 110.573 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -107.24 14.63 25.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 13.16 110.653 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.1 tp 59.59 -102.31 0.14 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.486 -0.779 . . . . 12.140000000000001 110.87 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.39 37.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.73 0.3 . . . . 14.140000000000001 110.969 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.19 -68.23 1.75 Allowed Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.883 -0.675 . . . . 16.039999999999999 112.322 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.61 179.1 0.24 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.144 0.577 . . . . 17.800000000000001 111.606 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -68.09 99.15 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.629 -0.714 . . . . 19.609999999999999 110.2 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -96.61 156.44 16.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.024 -0.535 . . . . 20.57 110.579 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 62' ' ' LEU . 2.6 mm? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.445 -0.343 . . . . 21.890000000000001 110.621 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtm . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.854 0.359 . . . . 10.35 110.798 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.517 ' H ' ' ND2' ' B' ' 46' ' ' ASN . 47.4 mtpt -141.92 130.2 11.9 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-N 116.207 -0.452 . . . . 8.3300000000000001 110.866 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 23.6 Cg_exo -66.05 121.78 9.18 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.162 2.574 . . . . 4.4900000000000002 111.249 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.687 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 72.2 t -141.91 148.9 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.371 0.605 . . . . 3.1600000000000001 111.001 -177.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 31.6 p -106.59 157.18 17.88 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 105.924 -1.88 . . . . 3.1699999999999999 105.924 175.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 1.135 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.4 mt -61.03 -21.81 63.96 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 118.088 -1.445 . . . . 2.5600000000000001 109.243 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -37.48 87.61 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.586 -1.188 . . . . 4.2800000000000002 110.289 176.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.684 ' HB2' HG13 ' B' ' 4' ' ' VAL . 3.2 m-20 -65.06 -44.6 88.45 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 114.786 -1.097 . . . . 3.77 109.767 -178.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' B' ' 42' ' ' MET . 88.3 t -67.5 -43.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.42 -0.809 . . . . 2.6800000000000002 109.147 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.522 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.07 -47.15 84.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.1 -1.409 . . . . 3.1299999999999999 111.128 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -64.7 -49.44 70.9 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.633 -0.712 . . . . 5.21 109.58 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.749 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 41.9 t80 -61.2 -28.64 69.29 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.871 -1.059 . . . . 3.6200000000000001 111.299 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -84.1 -26.26 29.1 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.601 0.715 . . . . 2.9399999999999999 109.619 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.33 30.18 17.26 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.189 -0.914 . . . . 3.6600000000000001 111.292 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.536 ' HB ' HG21 ' B' ' 19' ' ' THR . 17.3 m -139.9 150.19 22.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 114.268 -0.966 . . . . 3.5299999999999998 110.853 -176.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -49.26 161.52 0.17 Allowed 'General case' 0 CA--C 1.496 -1.125 0 CA-C-O 121.753 0.787 . . . . 4.3799999999999999 111.208 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.77 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 54.8 t80 -54.4 -68.9 0.15 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.725 -1.125 . . . . 3.6200000000000001 109.545 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 1.0 ' HA ' ' HB2' ' B' ' 21' ' ' SER . 0.0 OUTLIER -61.63 -1.37 0.57 Allowed 'General case' 0 CA--C 1.485 -1.538 0 C-N-CA 124.358 1.063 . . . . 5.04 112.055 176.647 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.536 HG21 ' HB ' ' B' ' 15' ' ' VAL 0.255 88.9 m -65.8 -59.51 3.81 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 102.339 -3.208 . . . . 3.7799999999999998 102.339 173.232 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.957 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 2.0 m -77.22 -34.7 21.63 Favored 'Isoleucine or valine' 0 C--N 1.384 2.094 0 O-C-N 125.38 1.675 . . . . 2.9300000000000002 113.501 175.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 1.0 ' HB2' ' HA ' ' B' ' 18' ' ' GLN . 62.1 m -59.72 -37.02 77.75 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.696 -0.627 . . . . 3.23 111.742 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.621 ' HB3' ' O ' ' B' ' 18' ' ' GLN . 0.1 OUTLIER -66.39 -29.81 70.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.039 -1.467 . . . . 5.4000000000000004 107.039 177.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 1.029 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 72.8 t -65.87 -51.7 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 114.41 -1.268 . . . . 3.1800000000000002 108.736 177.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.427 HG21 HD21 ' B' ' 6' ' ' LEU . 88.1 t -68.06 -21.17 26.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 114.548 -1.205 . . . . 3.1200000000000001 111.883 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.608 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 4.9 m-80 -102.29 19.47 18.69 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 122.283 -0.261 . . . . 4.0700000000000003 111.17 -177.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.608 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 78.9 mm-40 94.13 86.22 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 124.656 1.223 . . . . 6.0300000000000002 108.941 177.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 1.029 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -74.26 75.73 1.83 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.459 -1.7 . . . . 4.4800000000000004 112.615 -177.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 21.0 p -76.91 -18.99 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.967 0.413 . . . . 5.6900000000000004 110.623 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.646 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 74.5 m-70 -139.17 85.39 2.06 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.339 -0.391 . . . . 6.5300000000000002 111.475 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.435 ' CG2' ' HB1' ' B' ' 27' ' ' ALA . 46.0 t -149.25 153.8 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 115.783 -0.644 . . . . 4.4299999999999997 109.442 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.501 ' O ' ' HG3' ' B' ' 35' ' ' ARG . 0.1 OUTLIER -79.29 175.45 10.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.851 0.358 . . . . 3.96 111.213 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -70.23 -63.76 1.02 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.072 -0.513 . . . . 3.3100000000000001 112.15 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -50.6 -49.99 55.13 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.552 0.575 . . . . 4.9000000000000004 112.552 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.746 ' O ' HG13 ' B' ' 38' ' ' VAL . 8.4 m -50.91 -46.75 60.84 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.789 -0.641 . . . . 3.1299999999999999 112.13 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' B' ' 31' ' ' SER . 18.3 mtm180 -62.44 -38.66 90.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.867 0.365 . . . . 3.9100000000000001 110.235 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 28.1 mt-10 -67.0 -36.54 82.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.54 -0.755 . . . . 2.9399999999999999 109.841 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -71.23 -46.41 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.727 -0.67 . . . . 3.1000000000000001 111.316 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.957 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 2.7 m -68.21 -47.82 76.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.697 -0.229 . . . . 2.3300000000000001 110.73 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.423 ' N ' ' CG2' ' B' ' 38' ' ' VAL . 5.6 mt-10 -62.08 -37.08 83.68 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.104 -0.702 . . . . 3.0 109.104 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.62 -55.51 19.78 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 108.463 -0.94 . . . . 2.6499999999999999 108.463 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.749 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -49.77 -51.0 42.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 113.135 0.791 . . . . 2.6800000000000002 113.135 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.491 ' HA ' HG22 ' B' ' 9' ' ' VAL . 16.8 ptp -64.57 -32.72 74.49 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.809 -0.357 . . . . 2.7400000000000002 110.382 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.95 -44.66 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 3.4300000000000002 111.093 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.45 -43.47 76.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.686 -0.688 . . . . 3.8100000000000001 110.45 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 10.0 mt -80.49 -0.66 38.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.908 -0.587 . . . . 3.4700000000000002 110.77 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.522 ' HB3' ' O ' ' B' ' 45' ' ' LEU . 1.8 t30 75.21 -46.46 0.59 Allowed 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.767 0.667 . . . . 4.3899999999999997 110.563 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 1.135 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 2.0 t80 52.86 81.67 0.08 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.654 0.74 . . . . 2.9700000000000002 111.996 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.53 HG13 ' HD2' ' B' ' 49' ' ' PRO . 1.7 tp -92.98 142.67 25.7 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.278 -0.873 . . . . 3.9700000000000002 109.752 178.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.53 ' HD2' HG13 ' B' ' 48' ' ' ILE . 48.7 Cg_exo -56.57 115.08 2.22 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.606 2.204 . . . . 3.6600000000000001 112.238 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -68.27 -62.91 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.912 -0.586 . . . . 5.1100000000000003 111.425 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -143.72 35.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.576 -0.284 . . . . 8.3200000000000003 111.023 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 13.2 m 70.47 -67.44 0.24 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.768 -0.651 . . . . 6.1200000000000001 111.555 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 178.94 149.21 0.23 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.552 0.532 . . . . 7.4400000000000004 110.481 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.48 ' HB3' ' OE1' ' B' ' 55' ' ' GLN . 2.4 tt0 -72.7 -91.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.341 0.591 . . . . 10.52 111.535 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.48 ' OE1' ' HB3' ' B' ' 54' ' ' GLN . 1.3 pm0 -89.49 -29.07 19.24 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.597 -0.729 . . . . 12.48 110.853 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.86 -175.74 5.5 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.073 0.463 . . . . 11.92 111.456 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.04 126.51 6.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.51 -0.768 . . . . 12.460000000000001 109.411 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.97 135.81 12.93 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.656 -0.783 . . . . 14.220000000000001 112.859 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -138.36 91.07 2.52 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.951 -0.388 . . . . 16.629999999999999 109.951 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -84.0 -14.45 50.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.113 0.482 . . . . 18.329999999999998 110.154 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.7 m -76.46 147.45 37.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.583 -0.735 . . . . 19.620000000000001 110.103 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.47 -0.776 . . . . 21.170000000000002 110.435 -179.91 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.585 HO5' ' H6 ' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.612 0 O4'-C1'-N19 108.66 1.075 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.436 ' OP2' ' HA ' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-N19 109.176 1.72 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.706 H2'' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-N19 109.269 1.836 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.706 ' H71' H2'' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O3'-P-O5' 100.725 -1.724 . . . . 5.9699999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-N19 108.869 1.336 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-N19 109.547 2.184 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C1'-N19 109.641 2.301 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-N19 109.272 1.84 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.47 H2'' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O3'-P-O5' 101.047 -1.554 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.47 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-N19 109.11 1.637 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.444 ' H72' ' C8 ' ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-N19 110.21 3.012 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.443 ' C6 ' ' H72' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O3'-P-O5' 99.447 -2.396 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.443 ' H72' ' C6 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 O3'-P-O5' 100.476 -1.855 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.101 0 O4'-C1'-N19 109.257 1.821 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O3'-P-O5' 100.768 -1.701 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O4'-C1'-N19 109.273 1.841 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-N19 108.87 1.337 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 N19-C1'-C2' 115.946 1.091 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.565 0 O4'-C1'-N19 108.575 0.969 . . . . 7.4000000000000004 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.646 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O4'-C1'-N19 109.71 2.387 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.458 ' OP2' H2'' ' D' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-N19 109.457 2.071 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.425 ' C7 ' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.574 0 O3'-P-O5' 100.556 -1.812 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . 0.412 ' H8 ' H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-N19 108.785 1.232 . . . . 7.4699999999999998 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-N19 109.613 2.267 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-N19 109.552 2.19 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.077 0 O4'-C1'-N19 109.455 2.069 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.444 H2'' ' C8 ' ' D' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O3'-P-O5' 100.765 -1.702 . . . . 6.4800000000000004 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . 0.444 ' C8 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-N19 109.007 1.508 . . . . 5.0700000000000003 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . 0.444 " H2'" ' OH ' ' A' ' 17' ' ' TYR . . . . . . . . 0 O3'--C3' 1.419 -0.907 0 O4'-C1'-N19 109.712 2.39 . . . . 4.5999999999999996 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.036 0 O4'-C1'-N19 109.7 2.375 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O3'-P-O5' 100.015 -2.097 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-N19 109.221 1.777 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O4'-C1'-N19 109.175 1.719 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C1'-N19 109.232 1.79 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-N19 108.794 1.243 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 N19-C1'-C2' 115.735 0.96 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.253 0.073 . . . . 8.1099999999999994 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp 70.23 160.55 0.15 Allowed Pre-proline 0 N--CA 1.468 0.442 0 C-N-CA 122.95 0.5 . . . . 7.29 111.342 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.721 ' HG2' HG12 ' A' ' 48' ' ' ILE . 10.9 Cg_endo -94.23 -165.62 0.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.545 2.83 . . . . 4.3700000000000001 114.049 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.632 HG13 ' HB2' ' A' ' 8' ' ' ASP . 44.9 t -64.97 150.32 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-N 114.632 -1.167 . . . . 3.4500000000000002 112.953 -179.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.9 p -118.49 163.3 16.98 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.76 -1.57 . . . . 3.5499999999999998 106.76 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.084 ' HG ' ' OH ' ' A' ' 47' ' ' TYR . 2.4 mt -59.2 -25.1 63.68 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 119.813 -0.755 . . . . 2.8500000000000001 111.318 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -65.05 -37.8 88.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.668 0.747 . . . . 4.3899999999999997 110.377 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.632 ' HB2' HG13 ' A' ' 4' ' ' VAL . 19.1 m-20 -65.63 -44.34 86.75 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.344 -1.298 . . . . 4.1299999999999999 109.807 -178.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.44 HG13 ' HB3' ' A' ' 41' ' ' ALA . 87.0 t -68.52 -42.7 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 CA-C-O 121.67 0.748 . . . . 2.9100000000000001 109.15 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.547 ' HA ' HG11 ' A' ' 20' ' ' VAL . . . -56.71 -48.47 77.63 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.437 -1.256 . . . . 3.1400000000000001 111.4 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.61 -48.81 65.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.015 -0.539 . . . . 5.2400000000000002 109.839 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.818 ' CD2' ' HA ' ' A' ' 41' ' ' ALA . 52.0 t80 -60.27 -29.56 68.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.277 -0.874 . . . . 3.8199999999999998 111.508 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -83.3 -27.52 29.74 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.764 0.792 . . . . 2.8700000000000001 109.571 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.51 35.12 8.79 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.688 -1.142 . . . . 3.2799999999999998 110.673 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.611 HG21 HG12 ' A' ' 38' ' ' VAL . 6.2 m -139.27 145.79 26.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 114.245 -0.978 . . . . 3.3900000000000001 110.136 -179.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.3 m -55.16 150.98 9.99 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.599 0.714 . . . . 4.3399999999999999 110.397 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.661 ' CE1' ' HB3' ' A' ' 6' ' ' LEU . 82.6 t80 -52.53 -52.01 56.86 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.755 -1.112 . . . . 3.71 112.212 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -22.37 66.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.581 -0.736 . . . . 5.5 111.515 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m -65.89 -61.53 2.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.976 -0.379 . . . . 3.6499999999999999 109.976 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.554 ' HB ' ' CG1' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -68.34 -29.15 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 2.8500000000000001 111.84 -178.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -58.03 -44.64 87.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.078 0.466 . . . . 3.1899999999999999 110.129 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.903 HH11 HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.06 -27.73 63.85 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.497 0.665 . . . . 4.4400000000000004 109.253 179.609 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.033 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 54.7 t -67.25 -50.92 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 114.734 -1.121 . . . . 2.9100000000000001 110.776 -179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.443 HG12 ' ND2' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -63.9 -18.29 22.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.162 -0.926 . . . . 2.7200000000000002 111.602 -179.473 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' ND2' HG12 ' A' ' 24' ' ' VAL . 12.2 m-80 -104.0 -12.02 17.06 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.442 0.905 . . . . 3.6800000000000002 113.442 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.1 -58.1 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.22 0.452 . . . . 6.0800000000000001 112.22 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.033 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 58.8 51.58 7.41 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.103 0.478 . . . . 4.6299999999999999 111.435 -178.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -64.01 -53.85 43.55 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.732 -0.667 . . . . 5.0899999999999999 110.967 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -111.3 80.55 1.32 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.594 0.711 . . . . 5.7999999999999998 110.115 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.903 HG22 HH11 ' A' ' 22' ' ' ARG . 5.8 t -146.84 151.53 13.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 114.522 -1.217 . . . . 4.2300000000000004 108.509 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.8 p -83.83 158.42 21.68 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.245 -0.582 . . . . 3.6600000000000001 110.717 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.631 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -53.79 -55.74 23.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.745 -0.661 . . . . 3.2799999999999998 112.255 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -49.4 -32.32 11.38 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.61 0.596 . . . . 4.5899999999999999 112.61 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.712 ' O ' HG13 ' A' ' 38' ' ' VAL . 1.7 m -70.07 -52.2 25.82 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 112.094 0.405 . . . . 2.8599999999999999 112.094 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.527 ' O ' HG22 ' A' ' 38' ' ' VAL . 30.4 mtm180 -60.39 -41.5 93.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.995 0.426 . . . . 4.1600000000000001 110.363 -177.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.631 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 31.2 mm-40 -67.42 -31.77 72.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.587 -0.733 . . . . 3.5499999999999998 110.357 -179.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -72.02 -47.86 48.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 2.8399999999999999 109.891 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.828 HG21 HG11 ' A' ' 23' ' ' VAL . 2.2 m -63.58 -44.17 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.842 -0.799 . . . . 2.2599999999999998 108.842 178.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 15.9 mt-10 -57.54 -47.55 81.73 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.106 -0.952 . . . . 3.27 109.857 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -59.15 -53.35 59.27 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 109.357 -0.609 . . . . 2.8599999999999999 109.357 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.818 ' HA ' ' CD2' ' A' ' 12' ' ' TYR . . . -53.36 -51.81 61.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 113.34 0.867 . . . . 2.8900000000000001 113.34 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.414 ' N ' HG13 ' A' ' 9' ' ' VAL . 14.6 ptp -65.26 -31.92 73.32 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.933 -0.307 . . . . 2.8799999999999999 110.273 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.0 -43.78 70.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.811 0.338 . . . . 3.6000000000000001 110.975 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.715 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 23.6 mm-40 -68.64 -45.39 71.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.23 0.538 . . . . 4.0899999999999999 111.023 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 8.8 mt -80.84 2.16 27.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.444 -0.798 . . . . 3.71 111.269 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.528 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 1.8 t-20 75.39 -58.37 0.56 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.326 -0.62 . . . . 4.1799999999999997 109.326 -178.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 1.084 ' OH ' ' HG ' ' A' ' 6' ' ' LEU . 11.6 t80 56.6 110.21 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.643 0.979 . . . . 3.1000000000000001 113.643 177.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.721 HG12 ' HG2' ' A' ' 3' ' ' PRO . 2.0 pp -90.73 164.9 24.33 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 114.95 -1.023 . . . . 3.7000000000000002 109.39 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.436 ' CG ' ' HB2' ' A' ' 54' ' ' GLN . 26.3 Cg_exo -63.18 -84.56 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.417 2.078 . . . . 3.6000000000000001 112.421 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 49' ' ' PRO . 7.6 t-20 177.94 -71.21 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.981 0.419 . . . . 5.1399999999999997 110.683 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.469 HH11 " H5'" ' C' ' 12' ' ' ' DC' . 4.2 mtm180 -127.45 33.68 4.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.236 0.541 . . . . 9.0 110.461 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.5 m -144.76 110.11 5.21 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.788 -0.819 . . . . 5.8700000000000001 108.788 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.25 112.29 0.85 Allowed 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.279 -1.328 . . . . 7.9500000000000002 112.839 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HB2' ' CG ' ' A' ' 49' ' ' PRO . 19.2 mm-40 -145.09 -77.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.848 -0.614 . . . . 10.550000000000001 110.357 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.603 ' HG3' ' HA ' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -83.82 54.25 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 13.16 110.809 -179.289 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.5 mt -111.54 15.35 21.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.106 0.479 . . . . 12.140000000000001 110.986 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.41 140.04 53.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.914 -0.585 . . . . 14.140000000000001 110.262 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.71 -58.81 4.89 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.131 -0.557 . . . . 16.039999999999999 112.383 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 tttm 61.57 -138.77 0.51 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.079 0.552 . . . . 17.800000000000001 110.469 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 58.44 -136.51 0.9 Allowed 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.071 -0.344 . . . . 19.609999999999999 110.071 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 m -92.75 115.55 28.21 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.534 -0.543 . . . . 20.57 109.534 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 46' ' ' ASN . 61.0 tp . . . . . 0 N--CA 1.465 0.295 0 O-C-N 123.494 0.496 . . . . 21.890000000000001 110.749 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.6 ttm . . . . . 0 C--O 1.228 -0.043 0 CA-C-O 121.288 0.566 . . . . 10.35 110.196 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -120.81 92.03 47.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.88 -0.6 . . . . 8.3300000000000001 110.9 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -81.35 1.34 9.35 Favored 'Trans proline' 0 CA--C 1.513 -0.544 0 C-N-CA 122.681 2.254 . . . . 4.4900000000000002 112.437 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.627 HG13 ' HB2' ' B' ' 8' ' ' ASP . 56.3 t -138.87 140.57 38.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.842 0.829 . . . . 3.1600000000000001 110.913 179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.8 p -107.99 158.79 17.07 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.031 -1.841 . . . . 3.1699999999999999 106.031 176.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 1.078 ' HG ' ' OH ' ' B' ' 47' ' ' TYR . 1.4 mt -61.43 -20.86 63.58 Favored 'General case' 0 C--N 1.309 -1.188 0 C-N-CA 118.604 -1.239 . . . . 2.5600000000000001 109.677 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -64.24 -40.27 95.69 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 114.952 -1.022 . . . . 4.2800000000000002 109.51 177.637 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.627 ' HB2' HG13 ' B' ' 4' ' ' VAL . 24.4 m-20 -61.67 -44.23 97.34 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 114.158 -1.383 . . . . 3.77 109.568 -178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' B' ' 42' ' ' MET . 75.7 t -68.77 -42.36 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.357 -0.838 . . . . 2.6800000000000002 109.161 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.521 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -58.5 -46.42 86.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.314 -1.312 . . . . 3.1299999999999999 111.466 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -49.04 71.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.609 -0.723 . . . . 5.21 109.327 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.805 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 46.3 t80 -61.65 -27.87 68.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.027 -0.988 . . . . 3.6200000000000001 111.272 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.05 -25.39 25.93 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.556 0.693 . . . . 2.9399999999999999 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.21 31.65 16.33 Favored Glycine 0 CA--C 1.498 -0.997 0 CA-C-N 114.728 -1.124 . . . . 3.6600000000000001 111.598 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.62 ' HB ' HG21 ' B' ' 19' ' ' THR . 6.9 m -139.54 150.53 22.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.611 -0.795 . . . . 3.5299999999999998 111.073 -177.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.3 m -50.55 161.46 0.32 Allowed 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 121.896 0.855 . . . . 4.3799999999999999 111.531 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.723 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 76.0 t80 -57.51 -63.73 1.13 Allowed 'General case' 0 C--O 1.196 -1.742 0 CA-C-N 114.706 -1.134 . . . . 3.6200000000000001 111.634 -179.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.704 ' HA ' ' HB3' ' B' ' 21' ' ' SER . 0.8 OUTLIER -62.15 10.47 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 126.294 1.837 . . . . 5.04 110.845 167.044 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.62 HG21 ' HB ' ' B' ' 15' ' ' VAL . 23.4 m -78.98 -65.34 1.01 Allowed 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 104.738 -2.319 . . . . 3.7799999999999998 104.738 162.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 38' ' ' VAL . 1.4 m -76.28 -31.24 20.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 C-N-CA 126.637 1.975 . . . . 2.9300000000000002 113.463 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.704 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 17.8 t -60.31 -40.29 90.05 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 108.531 -0.914 . . . . 3.23 108.531 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -66.31 -32.23 73.5 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.898 -1.149 . . . . 5.4000000000000004 107.898 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 1.003 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 83.8 t -66.1 -50.9 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 114.108 -1.406 . . . . 3.1800000000000002 109.687 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.448 HG21 HD21 ' B' ' 6' ' ' LEU . 53.6 t -66.46 -21.52 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.985 -1.007 . . . . 3.1200000000000001 112.353 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' B' ' 26' ' ' GLN . 2.1 m-80 -90.38 -11.92 39.11 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.628 -0.829 . . . . 4.0700000000000003 112.32 -176.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.437 ' HB3' ' O ' ' B' ' 25' ' ' ASN . 9.7 pt20 157.94 -42.14 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 O-C-N 124.246 0.966 . . . . 6.0300000000000002 110.89 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 1.003 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . 58.49 54.74 5.3 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.307 -0.86 . . . . 4.4800000000000004 112.28 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -25.73 60.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.822 -0.626 . . . . 5.6900000000000004 110.569 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.793 ' HA ' ' OP2' ' D' ' 2' ' ' ' DG' . 31.1 m-70 -126.99 83.32 2.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.906 -0.588 . . . . 6.5300000000000002 110.135 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.484 ' HA ' ' OP2' ' D' ' 3' ' ' ' DA' . 31.5 t -152.99 153.8 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 116.134 -0.484 . . . . 4.4299999999999997 110.586 -178.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.428 ' N ' HG12 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -87.32 -175.5 5.29 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.284 -0.416 . . . . 3.96 110.509 178.611 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -72.07 -73.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.967 0.728 . . . . 3.3100000000000001 112.967 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.444 ' O ' ' HD3' ' B' ' 37' ' ' LYS . 47.7 pttt -43.24 -41.86 4.08 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.68 0.993 . . . . 4.9000000000000004 113.68 -177.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.701 ' O ' HG13 ' B' ' 38' ' ' VAL . 10.9 m -55.86 -51.02 69.0 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 120.861 -0.336 . . . . 3.1299999999999999 111.46 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 35' ' ' ARG . 2.6 ttm180 -59.33 -37.5 77.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.046 -0.525 . . . . 3.9100000000000001 110.614 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 27.0 mt-10 -67.35 -40.75 85.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.474 -0.785 . . . . 2.9399999999999999 111.33 -179.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' B' ' 33' ' ' LYS . 7.3 mtpp -71.23 -43.59 67.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.902 -0.59 . . . . 3.1000000000000001 111.223 -178.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.908 ' HB ' ' HB ' ' B' ' 20' ' ' VAL . 3.0 m -66.85 -44.12 89.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.793 -0.447 . . . . 2.3300000000000001 109.793 179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -61.92 -37.81 86.09 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.323 -0.621 . . . . 3.0 109.323 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' B' ' 44' ' ' GLU . . . -64.42 -53.21 51.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.854 -0.795 . . . . 2.6499999999999999 108.854 177.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.805 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -52.02 -51.36 57.88 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.525 -0.761 . . . . 2.6800000000000002 112.94 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.43 ' HA ' HG22 ' B' ' 9' ' ' VAL . 15.8 ptp -64.78 -32.0 73.49 Favored 'General case' 0 C--O 1.22 -0.468 0 C-N-CA 121.011 -0.276 . . . . 2.7400000000000002 110.549 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.09 -42.01 73.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.382 . . . . 3.4300000000000002 111.049 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.494 ' HG3' ' HE2' ' B' ' 12' ' ' TYR . 4.3 mm-40 -69.37 -44.83 70.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.378 0.609 . . . . 3.8100000000000001 110.853 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 7.6 mt -81.12 2.28 28.1 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.327 -0.851 . . . . 3.4700000000000002 110.706 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 9.4 t30 74.02 -57.71 0.61 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.538 0.735 . . . . 4.3899999999999997 109.707 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 1.078 ' OH ' ' HG ' ' B' ' 6' ' ' LEU . 14.2 t80 49.21 101.6 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.16 1.171 . . . . 2.9700000000000002 114.16 177.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.462 ' HA ' ' HD3' ' B' ' 49' ' ' PRO . 0.0 OUTLIER -86.57 121.99 71.98 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.592 -0.892 . . . . 3.9700000000000002 108.592 177.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 48' ' ' ILE . 17.2 Cg_exo -67.8 -142.06 0.01 OUTLIER 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 123.807 3.004 . . . . 3.6600000000000001 114.733 -178.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -82.4 41.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.528 -0.76 . . . . 5.1100000000000003 111.922 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.43 ' O ' ' HD2' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -114.2 79.95 1.33 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.391 -0.596 . . . . 8.3200000000000003 109.391 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.9 103.8 10.3 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-O 122.313 1.054 . . . . 6.1200000000000001 109.483 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.2 97.56 1.55 Allowed 'General case' 0 C--N 1.298 -1.643 0 CA-C-N 113.094 -1.866 . . . . 7.4400000000000004 111.013 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.2 -55.64 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.001 -0.545 . . . . 10.52 110.69 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -131.5 -12.37 3.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 12.48 110.78 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 33.3 tp -70.08 -32.62 70.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.224 -0.444 . . . . 11.92 111.355 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . 68.62 -58.82 0.47 Allowed 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.884 0.74 . . . . 12.460000000000001 111.712 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.12 23.0 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.907 -0.477 . . . . 14.220000000000001 111.907 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -144.42 162.67 35.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.73 0.3 . . . . 16.629999999999999 110.517 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -97.15 45.73 1.04 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.32 0.581 . . . . 18.329999999999998 110.097 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 49.5 m -156.04 159.46 39.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.472 -0.786 . . . . 19.620000000000001 109.458 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.163 -0.923 . . . . 21.170000000000002 110.285 -179.609 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.488 ' H6 ' " O5'" ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.569 0 O4'-C1'-N19 108.542 0.927 . . . . 7.0199999999999996 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.404 ' C8 ' H2'' ' C' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C1'-N19 109.155 1.694 . . . . 6.3700000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . 0.401 H2'' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-N19 109.019 1.524 . . . . 5.9000000000000004 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.401 ' H71' H2'' ' C' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O3'-P-O5' 100.503 -1.84 . . . . 5.9699999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O3'-P-O5' 100.466 -1.86 . . . . 7.2699999999999996 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.418 -1.038 0 O3'-P-O5' 100.349 -1.921 . . . . 7.7999999999999998 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O3'-P-O5' 100.156 -2.023 . . . . 8.2400000000000002 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O3'-P-O5' 100.646 -1.765 . . . . 7.6399999999999997 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O3'-P-O5' 100.074 -2.066 . . . . 6.2400000000000002 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . 0.425 " C2'" ' H72' ' C' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 O3'-P-O5' 100.689 -1.743 . . . . 5.0499999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.425 ' H72' " C2'" ' C' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.067 0 O4'-C1'-N19 109.652 2.315 . . . . 4.5700000000000003 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.541 " C2'" ' H71' ' C' ' 13' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.417 -1.062 0 O3'-P-O5' 98.563 -2.862 . . . . 4.8099999999999996 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.541 ' H71' " C2'" ' C' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O3'-P-O5' 99.807 -2.207 . . . . 6.0800000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O3'-P-O5' 100.0 -2.105 . . . . 7.6500000000000004 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O3'-P-O5' 100.084 -2.061 . . . . 8.6300000000000008 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 O3'-P-O5' 100.606 -1.786 . . . . 9.3000000000000007 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C1'-N19 108.911 1.389 . . . . 9.2899999999999991 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 N19-C1'-C2' 115.723 0.952 . . . . 8.6500000000000004 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' ' DC' . . . . . 0.505 ' H6 ' " O5'" ' D' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.631 0 O4'-C1'-N19 108.547 0.934 . . . . 7.4000000000000004 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' ' DG' . . . . . 0.793 ' OP2' ' HA ' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O4'-C1'-N19 109.208 1.759 . . . . 6.7800000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.484 ' OP2' ' HA ' ' B' ' 30' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.018 0 O4'-C1'-N19 109.661 2.326 . . . . 6.2400000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.465 ' OP2' H2'' ' D' ' 3' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.518 -0.968 0 O3'-P-O5' 99.36 -2.442 . . . . 6.2199999999999998 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C1'-N19 109.029 1.536 . . . . 7.4699999999999998 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O3'-P-O5' 100.586 -1.797 . . . . 7.9699999999999998 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O3'-P-O5' 99.788 -2.217 . . . . 8.3499999999999996 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.062 0 O3'-P-O5' 100.117 -2.044 . . . . 7.7699999999999996 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O3'-P-O5' 99.587 -2.323 . . . . 6.4800000000000004 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.117 0 O3'-P-O5' 100.143 -2.03 . . . . 5.0700000000000003 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.055 0 O3'-P-O5' 99.552 -2.341 . . . . 4.5999999999999996 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.113 0 O3'-P-O5' 100.08 -2.063 . . . . 4.5800000000000001 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.992 0 O3'-P-O5' 99.893 -2.162 . . . . 5.6500000000000004 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O3'-P-O5' 100.215 -1.992 . . . . 7.2400000000000002 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O3'-P-O5' 100.3 -1.947 . . . . 8.25 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O3'-P-O5' 100.514 -1.835 . . . . 8.9100000000000001 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O3'-P-O5' 101.419 -1.359 . . . . 8.9399999999999995 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 N19-C1'-C2' 115.608 0.88 . . . . 8.2300000000000004 . . . . . . . . . . 0 0 . 1 stop_ save_