data_2l6w_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 2l6w _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.783 0.243 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -62.25 -15.07 44.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.776 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -56.6 -52.16 65.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.3 t -71.95 -35.63 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.607 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.405 HG11 HG13 ' B' ' 9' ' ' VAL . 4.7 t -59.76 -51.21 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 0.0 111.529 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.54 -58.44 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.686 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.1 mt -51.17 -37.1 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.615 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -72.05 -42.34 66.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.34 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.93 -52.54 55.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.411 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 18' ' ' VAL . 41.8 mm -54.68 -51.81 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.1 tp -55.6 -49.96 71.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.42 -32.04 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 tp -73.35 -31.61 64.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 14' ' ' ILE . 94.1 t -72.45 -44.07 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.486 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 m -64.16 -29.03 46.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.77 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.96 -35.63 81.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.023 0.439 . . . . 0.0 109.892 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.9 m -74.84 -34.17 62.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.341 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.3 mm -67.79 -50.7 57.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.567 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.569 HG21 HG21 ' B' ' 23' ' ' ILE . 19.0 tt -60.88 -33.82 56.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.9 t -73.67 -35.37 65.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.92 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.9 tp -59.12 -41.55 88.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.2 -40.37 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.044 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.45 HD12 HD13 ' B' ' 27' ' ' ILE . 41.7 mt -68.27 -38.95 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.217 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.5 tp -57.76 -54.77 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.164 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -68.42 -37.86 78.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.299 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.2 ttm -56.74 -52.07 66.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp -74.03 -23.78 59.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.648 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -64.81 -24.36 67.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.644 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.864 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -61.51 -46.34 90.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.779 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 m -59.88 -35.11 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.662 0.268 . . . . 0.0 111.295 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.405 HG13 HG11 ' A' ' 9' ' ' VAL . 2.5 t -64.04 -51.8 64.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -58.62 -52.06 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.371 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.94 -38.85 75.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.376 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -68.35 -38.73 81.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.57 -57.04 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.38 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 tp -57.02 -39.48 66.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.323 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.7 tp -68.81 -34.22 75.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.21 84.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.363 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.39 -33.83 71.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.716 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.1 t -69.33 -45.47 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.448 ' O ' HG12 ' B' ' 23' ' ' ILE . 35.8 m -70.08 -32.87 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.466 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 62.7 tp -57.57 -43.69 84.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.67 0.272 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -66.84 -38.1 85.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.318 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.5 -42.02 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.775 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.569 HG21 HG21 ' A' ' 23' ' ' ILE . 47.4 mm -59.82 -38.57 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.963 0.411 . . . . 0.0 110.358 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -72.65 -35.36 67.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.278 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.77 -33.65 76.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.39 -40.81 87.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.45 HD13 HD12 ' A' ' 27' ' ' ILE . 8.1 mt -68.13 -40.78 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.89 -54.35 48.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.29 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.75 -36.67 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.448 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.9 ttp -60.12 -44.92 94.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 46.9 tp -77.43 -23.86 50.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.626 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -68.31 -32.09 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 179.881 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.908 0.295 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -63.23 -15.24 56.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -56.89 -53.44 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.43 -35.75 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.523 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.66 -49.58 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.77 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.456 HG23 HG23 ' B' ' 9' ' ' VAL . 90.0 t -64.02 -52.49 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.638 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.14 -36.41 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.303 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -72.16 -39.83 68.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.012 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -63.56 -54.2 39.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.19 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -55.83 -49.12 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.166 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.3 tp -54.79 -49.2 71.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.28 -30.71 71.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.006 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 tp -73.07 -32.02 64.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.676 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -72.47 -48.61 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.121 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 23' ' ' ILE . 7.1 p -60.27 -34.11 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.553 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -57.67 -43.45 85.03 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.9 m -68.21 -32.32 72.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.422 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mm -67.91 -39.16 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.742 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 19' ' ' VAL . 47.6 mm -64.76 -48.99 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.1 p -69.43 -23.55 63.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.307 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -66.39 -47.82 72.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.383 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.4 mm -61.41 -39.72 83.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.7 mm -70.28 -36.61 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.302 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 tp -56.98 -50.48 72.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.319 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 mp -73.79 -39.01 51.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.246 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.8 ttp -57.89 -42.13 84.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 110.735 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.9 tp -79.66 -24.96 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.028 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -66.02 -26.72 67.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.545 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.753 179.881 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.48 ' O ' HG13 ' B' ' 9' ' ' VAL . 1.9 p90 . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 120.84 0.352 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -66.43 -40.74 89.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.92 -35.82 55.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.48 HG13 ' O ' ' B' ' 6' ' ' PHE . 10.8 p -69.32 -36.79 73.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.44 -42.59 87.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.84 0.352 . . . . 0.0 110.693 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 89.6 mt -66.69 -36.43 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 72.7 m -69.29 -38.96 78.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.783 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -65.77 -54.24 29.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.457 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.5 tp -59.37 -42.47 87.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.16 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.6 tp -69.52 -27.59 65.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.048 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.95 -35.14 66.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.835 0.35 . . . . 0.0 110.577 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.94 -41.3 91.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.006 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.45 ' O ' HG12 ' B' ' 23' ' ' ILE . 26.3 m -75.62 -38.68 38.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.3 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 42.0 tp -59.11 -29.87 67.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.76 0.314 . . . . 0.0 110.619 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -78.31 -40.42 36.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.493 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 98.1 mt -68.3 -37.57 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.45 HG12 ' O ' ' B' ' 19' ' ' VAL . 31.0 mm -58.89 -42.92 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 79.0 p -73.09 -34.56 66.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.309 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.53 -40.27 96.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.86 -43.76 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.401 HG12 ' O ' ' B' ' 23' ' ' ILE . 40.5 mm -67.65 -37.43 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.11 -53.71 55.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.065 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.58 -34.06 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.9 ttp -58.96 -41.09 86.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 50.1 tp -82.19 -24.64 34.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -68.3 -33.32 74.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.017 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.959 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.778 0.241 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -64.16 -16.1 61.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -57.52 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -72.12 -36.08 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.769 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.581 HG11 HG12 ' B' ' 9' ' ' VAL . 2.4 t -62.23 -52.16 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.591 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -57.93 -55.75 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.9 mt -55.49 -35.59 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.679 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -70.98 -43.39 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -63.82 -52.39 60.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.338 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.9 mt -57.46 -49.52 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.171 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 tp -53.5 -52.44 59.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.56 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.4 tp -72.23 -31.54 65.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.638 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.6 t -72.97 -45.9 53.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.231 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.2 m -64.09 -30.79 50.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.241 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.68 -40.26 83.05 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.5 m -70.65 -33.38 70.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.664 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -70.53 -36.77 67.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.879 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.596 HG21 HG22 ' B' ' 23' ' ' ILE . 36.4 mm -63.89 -45.96 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.014 0.435 . . . . 0.0 110.634 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.9 t -73.62 -25.9 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.295 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.8 tp -64.6 -46.38 82.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.241 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -62.73 -39.45 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.198 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.591 HD11 HD11 ' B' ' 27' ' ' ILE . 40.4 mm -72.05 -36.48 57.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.449 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.06 -42.83 86.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.797 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mm -79.29 -37.02 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.041 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.6 ttm -59.06 -44.89 91.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.714 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.4 tp -75.67 -30.59 59.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.43 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -61.18 -32.4 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.497 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.78 179.81 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.791 0.329 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -57.9 -50.93 71.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.496 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.7 m -59.3 -35.49 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.268 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.581 HG12 HG11 ' A' ' 9' ' ' VAL . 6.4 t -61.61 -51.54 71.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.881 0.372 . . . . 0.0 111.008 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.17 -54.14 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.61 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.8 mt -57.84 -37.35 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.326 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -70.32 -38.4 74.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.182 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -66.26 -55.89 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.59 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 19.3 tt -60.63 -38.64 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.384 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.1 -33.23 73.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.668 0.271 . . . . 0.0 110.982 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.16 -32.07 73.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -73.58 -33.49 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.614 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.24 -41.07 78.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 31.5 m -73.71 -27.09 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.263 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 tp -71.59 -26.47 62.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.818 0.342 . . . . 0.0 110.494 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -83.74 -35.94 24.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.407 ' O ' HG13 ' B' ' 26' ' ' ILE . 97.8 mt -73.34 -40.36 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.707 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.596 HG22 HG21 ' A' ' 23' ' ' ILE . 18.6 tt -61.82 -36.05 71.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 83.8 p -74.07 -37.54 64.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.884 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.55 -41.77 97.86 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 22' ' ' ILE . 85.5 mt -56.34 -39.62 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.015 0.436 . . . . 0.0 110.25 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.591 HD11 HD11 ' A' ' 27' ' ' ILE . 38.8 mt -68.71 -39.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.703 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -55.85 29.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.939 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.55 -32.02 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.091 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 32.0 ttm -58.73 -47.05 85.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.057 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.1 tp -81.89 -23.82 36.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -65.69 -35.4 80.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.863 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.881 0.284 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -70.61 -16.42 62.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.25 -48.61 78.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.547 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.31 -35.77 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.447 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.53 HG11 HG13 ' B' ' 9' ' ' VAL . 2.6 t -62.6 -46.42 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.51 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.15 -52.13 60.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.982 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -57.85 -41.77 80.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.752 0.311 . . . . 0.0 111.492 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -69.12 -38.82 79.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.249 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' B' ' 13' ' ' ALA . . . -66.99 -57.21 7.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.507 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -54.86 -47.08 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.513 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 tp -54.47 -38.0 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.16 89.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.63 -35.05 79.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.083 0.468 . . . . 0.0 110.446 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.82 -38.43 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.557 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.484 HG12 HD11 ' B' ' 20' ' ' LEU . 97.7 t -67.03 -43.3 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.416 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -38.92 76.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.476 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -67.52 -34.71 77.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.97 -36.78 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.944 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.508 HG21 HG23 ' B' ' 23' ' ' ILE . 37.2 mm -63.39 -47.01 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.557 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 t -73.4 -24.14 60.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.635 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.76 -58.98 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 0.0 111.193 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.3 mt -54.19 -39.58 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.556 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.472 HG13 HD11 ' B' ' 27' ' ' ILE . 49.7 mm -70.45 -36.8 68.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.274 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 tp -57.83 -45.77 85.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.748 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.8 mt -78.52 -32.82 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.0 ttm -59.11 -42.95 91.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.307 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.9 tp -80.11 -25.74 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.245 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -62.67 -30.89 71.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.66 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.817 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.8 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.742 0.306 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -60.37 -53.26 59.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.5 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -58.38 -35.18 52.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.233 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.53 HG13 HG11 ' A' ' 9' ' ' VAL . 3.5 t -63.48 -47.26 92.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.321 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.48 -52.64 58.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.35 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -59.62 -37.18 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.122 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.1 m -69.77 -38.83 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.847 0.356 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . . . -64.91 -55.07 21.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.516 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 19.5 tt -62.76 -41.66 93.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.618 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 tp -65.65 -33.32 75.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 110.768 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.71 84.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.4 -33.83 67.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.566 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.449 ' O ' HG12 ' B' ' 22' ' ' ILE . 71.6 t -67.05 -45.32 87.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.891 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.47 -31.29 42.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.374 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.484 HD11 HG12 ' A' ' 19' ' ' VAL . 42.2 tp -62.33 -31.48 72.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.826 0.346 . . . . 0.0 110.453 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.4 m -79.25 -36.04 40.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.297 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.449 HG12 ' O ' ' B' ' 18' ' ' VAL . 47.0 mm -66.66 -50.43 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.513 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.508 HG23 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -57.67 -32.3 42.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.555 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 37.9 t -73.22 -41.62 63.55 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.026 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.09 -39.58 95.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.119 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -57.98 -39.74 73.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.472 HD11 HG13 ' A' ' 27' ' ' ILE . 45.0 mt -66.3 -45.8 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.046 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.3 tp -57.63 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.399 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.82 -32.33 51.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.265 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 55.6 ttp -64.65 -47.5 78.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.6 tp -75.53 -23.95 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.724 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -68.46 -35.29 77.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.187 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 -179.864 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.856 0.273 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -62.38 -15.7 50.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.06 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -56.88 -52.68 64.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.506 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.98 -35.46 54.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.705 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.413 HG11 HG12 ' B' ' 9' ' ' VAL . 2.7 t -61.33 -53.31 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.684 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.2 t -59.52 -53.68 44.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.062 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -54.62 -41.62 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.657 0.265 . . . . 0.0 111.589 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -70.2 -39.55 75.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.44 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.9 -54.91 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.557 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.6 mt -54.7 -50.5 59.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.402 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.51 -36.05 66.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HB3' ' HB1' ' B' ' 16' ' ' ALA . . . -66.12 -32.47 73.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.01 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.15 -31.85 64.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 22' ' ' ILE . 60.8 t -69.14 -48.19 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 m -62.66 -33.44 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.533 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -36.31 73.84 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -76.52 -34.2 58.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.483 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 18' ' ' VAL . 49.9 mm -65.93 -41.73 90.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.704 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.622 HG23 HG23 ' B' ' 23' ' ' ILE . 35.6 mm -69.85 -38.2 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -73.07 -27.95 62.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.5 tp -65.84 -37.53 86.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.703 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.1 mm -67.71 -40.53 84.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.462 HD12 HD13 ' B' ' 27' ' ' ILE . 20.2 mt -70.4 -37.3 70.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.053 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.06 -47.78 83.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.115 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.3 mm -76.91 -36.67 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.34 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.1 ttm -59.66 -42.68 93.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.725 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -80.63 -27.49 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.484 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -63.5 -31.74 72.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.783 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.809 0.337 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -65.92 -25.41 67.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.572 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.42 -35.78 76.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.682 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.413 HG12 HG11 ' A' ' 9' ' ' VAL . 3.4 t -71.57 -47.12 59.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.847 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -57.89 -53.58 43.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.252 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.14 -33.64 47.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.942 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -70.77 -39.2 73.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.73 -53.61 38.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.299 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 32.3 mm -57.59 -53.43 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.25 -34.92 74.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.394 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.431 ' HB1' ' HB3' ' A' ' 16' ' ' ALA . . . -64.28 -40.77 96.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.504 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.93 -31.76 66.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.452 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.37 -41.56 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.856 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.521 ' O ' HG12 ' B' ' 23' ' ' ILE . 32.7 m -76.13 -35.15 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.46 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.499 HD11 HG13 ' A' ' 23' ' ' ILE . 58.0 tp -57.28 -37.85 73.04 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.704 0.287 . . . . 0.0 110.533 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 51.6 m -71.75 -29.78 64.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.947 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.415 ' O ' HG13 ' B' ' 26' ' ' ILE . 97.0 mt -72.97 -37.39 53.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.712 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.622 HG23 HG23 ' A' ' 23' ' ' ILE . 37.2 mm -62.61 -40.18 87.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.844 0.354 . . . . 0.0 110.36 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 82.7 p -73.36 -38.74 65.6 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.511 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.2 mt -59.3 -39.69 83.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.715 0.293 . . . . 0.0 110.966 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 22' ' ' ILE . 90.7 mt -62.13 -40.46 87.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.462 HD13 HD12 ' A' ' 27' ' ' ILE . 31.7 mt -65.8 -42.87 93.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.729 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.43 -59.23 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.164 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.4 mt -62.3 -32.87 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 36.0 ttm -58.93 -50.67 73.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.5 tp -76.67 -23.59 53.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.318 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 t90 -69.45 -38.78 77.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.968 -179.806 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.81 0.254 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -71.14 -17.43 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.99 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -59.08 -47.81 83.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.23 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.1 -35.87 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.099 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 t -64.19 -49.61 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.584 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.47 HG23 HG23 ' B' ' 9' ' ' VAL . 91.0 t -61.13 -54.8 30.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.409 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -53.98 -35.81 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.282 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -72.25 -40.15 67.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.021 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -64.37 -56.67 12.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.415 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.27 -45.1 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -56.71 -49.26 75.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.1 71.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.086 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.84 -31.96 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -73.21 -45.93 51.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.189 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.42 -30.62 49.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.056 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.682 HD22 HG13 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -59.74 -37.23 78.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.95 0.405 . . . . 0.0 110.169 179.697 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 m -75.83 -30.19 58.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.587 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mm -69.06 -44.58 81.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.859 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.536 HG13 HD11 ' B' ' 20' ' ' LEU . 49.8 mm -64.38 -43.11 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.24 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.2 p -72.75 -24.4 60.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.195 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.85 -53.65 25.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mt -56.18 -39.85 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.596 HD11 HD12 ' B' ' 27' ' ' ILE . 46.1 mm -69.73 -36.77 71.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.44 -49.45 77.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.753 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.4 mm -72.19 -31.89 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.4 ttm -62.36 -47.51 83.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.805 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.74 -35.14 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -62.38 -30.31 71.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.361 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.656 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.456 ' O ' HG13 ' B' ' 9' ' ' VAL . 17.4 t80 . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.783 0.325 . . . . 0.0 111.579 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -70.12 -34.15 72.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.761 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -72.18 -40.16 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.47 HG23 HG23 ' A' ' 10' ' ' VAL . 10.1 p -67.64 -37.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 89.6 t -66.13 -42.96 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 111.089 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -70.36 -32.46 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -71.33 -38.43 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -66.95 -56.45 10.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.354 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 tp -56.13 -40.64 65.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.501 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.3 tp -69.41 -40.32 77.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.18 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.06 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.68 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.95 -36.85 80.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -69.55 -38.21 76.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.682 HG13 HD22 ' A' ' 20' ' ' LEU . 88.8 t -67.02 -45.95 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.299 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.536 HD11 HG13 ' A' ' 23' ' ' ILE . 33.7 tp -57.63 -37.07 72.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.847 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.406 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 91.2 m -65.7 -42.57 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.258 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.402 ' O ' HG13 ' B' ' 26' ' ' ILE . 46.6 mm -65.77 -44.5 93.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.45 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.417 HG12 ' O ' ' B' ' 19' ' ' VAL . 28.9 mm -56.62 -37.96 55.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.531 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -71.28 -41.46 69.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.243 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 21' ' ' THR . 97.0 mt -61.2 -39.32 89.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.227 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 22' ' ' ILE . 81.2 mt -59.5 -45.64 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.369 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.596 HD12 HD11 ' A' ' 27' ' ' ILE . 41.7 mt -65.86 -39.88 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.316 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.1 -57.66 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.317 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mt -64.93 -32.42 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.282 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.0 ttp -61.88 -46.88 87.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.015 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 42.6 tp -79.18 -23.68 43.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -67.3 -34.66 77.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.991 -179.705 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.823 0.259 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -68.58 -19.9 64.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -59.69 -45.13 93.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.17 -36.03 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.676 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.489 HG11 HG12 ' B' ' 9' ' ' VAL . 3.3 t -65.26 -42.54 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.811 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.71 -50.94 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.609 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.3 mt -57.57 -37.65 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.85 0.357 . . . . 0.0 111.246 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -72.1 -38.73 69.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -55.74 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.318 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.3 mt -54.89 -48.56 74.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.271 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 tp -57.05 -34.36 68.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.682 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.61 74.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.182 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.43 -31.83 65.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.737 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 22' ' ' ILE . 48.3 t -68.78 -48.24 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.311 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.6 m -64.13 -31.83 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.74 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.03 -32.71 73.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 109.968 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.8 m -78.14 -35.09 49.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.513 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 18' ' ' VAL . 46.8 mm -69.64 -44.73 79.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.597 HG21 HG21 ' B' ' 23' ' ' ILE . 17.3 tt -64.65 -36.86 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -73.57 -32.01 63.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.03 -37.59 87.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -65.2 -40.85 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.441 HD12 HD13 ' B' ' 27' ' ' ILE . 43.6 mt -69.34 -36.68 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.46 -55.4 35.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.157 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -68.79 -38.42 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.512 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.3 ttm -57.73 -51.47 69.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.902 0.382 . . . . 0.0 110.556 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.8 tp -70.92 -26.06 63.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.681 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -68.62 -18.85 64.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.354 -179.755 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 p90 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.811 0.339 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -58.11 -51.22 70.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.222 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.8 m -62.78 -35.02 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.476 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.489 HG12 HG11 ' A' ' 9' ' ' VAL . 2.8 t -62.2 -51.2 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.777 0.322 . . . . 0.0 111.292 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.38 -48.33 89.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.469 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.96 -37.93 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.455 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 40.8 t -71.14 -38.58 72.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.203 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.11 75.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.66 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 20.2 tt -71.23 -38.01 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.621 0.248 . . . . 0.0 111.597 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 tp -68.08 -38.65 82.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.05 82.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.396 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.83 -32.22 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.956 0.408 . . . . 0.0 110.469 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.32 -42.99 81.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.695 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.458 ' O ' HG12 ' B' ' 23' ' ' ILE . 30.1 m -73.47 -31.77 34.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.379 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.59 -42.1 82.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.811 0.338 . . . . 0.0 110.466 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 62.7 m -68.2 -30.29 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.267 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.429 ' O ' HG13 ' B' ' 26' ' ' ILE . 82.6 mt -73.7 -39.64 53.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.751 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 23' ' ' ILE . 49.2 mm -61.52 -39.56 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.422 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 87.4 p -73.05 -38.25 66.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.966 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.33 -40.17 89.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 22' ' ' ILE . 90.0 mt -60.76 -39.72 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.441 HD13 HD12 ' A' ' 27' ' ' ILE . 21.8 mt -65.94 -39.64 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.908 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.2 -58.26 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.209 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 21.4 mm -60.67 -37.81 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.36 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 37.6 ttm -57.79 -51.19 70.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.039 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 35.2 tp -75.08 -23.41 58.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -66.29 -39.17 89.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.289 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.283 -179.614 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo . . . . . 0 CA--C 1.526 0.119 0 CA-C-O 120.735 0.223 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -65.13 -17.35 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -59.32 -48.57 81.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.219 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.18 -35.57 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.188 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.47 HG11 HG12 ' B' ' 9' ' ' VAL . 2.5 t -63.47 -44.83 98.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.249 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.54 -54.73 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.676 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.8 mt -53.28 -38.27 30.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.383 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -71.39 -41.2 69.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.055 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.83 -57.13 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.484 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -55.25 -46.03 77.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.045 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 tp -55.04 -39.51 69.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.789 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.89 95.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.243 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.84 -36.83 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.615 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 22' ' ' ILE . 64.2 t -65.13 -43.02 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.716 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.636 HG12 HD21 ' B' ' 20' ' ' LEU . 79.8 t -63.03 -41.87 94.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.509 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -57.42 -41.56 80.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 110.325 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -64.42 -33.46 75.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 18' ' ' VAL . 48.7 mm -70.49 -45.17 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.842 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.78 HG21 HG22 ' B' ' 23' ' ' ILE . 42.8 mm -61.69 -46.4 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -67.75 -31.73 71.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.39 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.84 -46.72 86.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.984 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.0 mt -61.21 -39.23 81.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.487 HG12 HG12 ' B' ' 27' ' ' ILE . 49.8 mt -66.89 -39.28 83.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.022 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.68 -45.57 93.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.172 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.37 -43.07 50.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.374 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.6 ttm -58.78 -39.09 80.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.1 tp -81.14 -29.26 34.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.527 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.1 t90 -63.0 -32.27 73.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.462 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.774 179.596 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 17.7 p90 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.781 0.324 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -57.9 -50.45 73.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.319 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.9 m -61.52 -35.27 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.518 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.47 HG12 HG11 ' A' ' 9' ' ' VAL . 3.5 t -63.8 -50.16 78.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.779 0.323 . . . . 0.0 111.084 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -59.32 -48.05 88.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.525 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.41 -36.29 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.308 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -69.57 -39.03 77.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.94 -56.29 10.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.321 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.3 tp -56.43 -41.25 71.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.404 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 tp -69.17 -35.95 76.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.217 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.42 87.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.336 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.68 -32.49 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.838 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t -68.7 -43.33 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.129 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.71 -21.77 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.605 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.636 HD21 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -68.77 -34.0 74.83 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.936 0.398 . . . . 0.0 110.471 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 44.5 m -80.75 -36.97 31.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.519 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.72 -39.68 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.78 HG22 HG21 ' A' ' 23' ' ' ILE . 19.2 tt -65.27 -36.42 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 78.6 p -74.03 -39.7 63.38 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 46.2 mt -58.64 -36.8 74.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.02 -39.79 79.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.371 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.487 HG12 HG12 ' A' ' 27' ' ' ILE . 20.6 mt -66.67 -43.87 90.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.833 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.4 tp -56.57 -58.11 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.3 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.0 -37.39 78.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.316 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.6 ttp -61.67 -40.6 95.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.771 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -82.02 -23.51 35.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -69.09 -31.66 70.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.569 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.499 179.6 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.81 0.254 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -67.4 -15.95 63.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.746 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.51 -52.58 64.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.206 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.61 -35.85 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.346 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.41 -51.84 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.633 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.26 -48.64 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.833 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.0 mt -58.71 -38.06 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.426 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -71.27 -38.64 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.046 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -66.04 -57.34 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.451 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.6 mt -54.6 -41.92 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.09 -38.04 81.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.07 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.47 86.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.064 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.4 -40.13 96.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.09 -34.68 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.468 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.7 t -72.09 -39.98 66.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.396 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.59 -38.05 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.108 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -71.13 -44.74 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.89 -42.37 92.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.593 HG13 HD11 ' B' ' 20' ' ' LEU . 39.1 mm -65.55 -43.01 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 t -73.52 -19.51 60.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.317 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.1 tp -76.65 -54.58 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.484 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mt -57.11 -39.81 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.348 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 tp -71.52 -36.23 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.0 tp -58.15 -47.86 82.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.609 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.9 mm -71.2 -32.09 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.796 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.59 -46.25 90.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.0 tp -76.99 -27.06 54.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.4 t90 -64.09 -28.45 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.238 -179.87 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 p90 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 121.063 0.459 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -65.47 -30.2 70.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.108 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 t -72.55 -42.94 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.79 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.72 -33.95 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.767 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.7 -51.65 53.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.737 0.304 . . . . 0.0 111.168 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.62 -34.11 65.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -70.07 -38.42 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -61.83 -57.03 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.54 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 16.4 tt -59.64 -42.22 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.467 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 tp -65.88 -28.76 69.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.82 89.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.301 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.78 -32.8 63.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.11 -42.91 88.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.442 ' O ' HG12 ' B' ' 23' ' ' ILE . 29.2 m -72.15 -34.45 49.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.301 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.593 HD11 HG13 ' A' ' 23' ' ' ILE . 55.5 tp -58.2 -41.29 83.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.945 0.403 . . . . 0.0 110.481 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.4 m -68.06 -35.72 78.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.68 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -70.68 -37.73 70.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.497 HG23 HG23 ' A' ' 23' ' ' ILE . 32.6 mm -61.63 -39.1 81.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 110.227 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.2 t -73.28 -37.54 66.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.27 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.57 -42.37 95.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.295 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 98.4 mt -60.46 -39.58 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.892 0.377 . . . . 0.0 110.992 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 82.8 mt -72.92 -37.31 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.307 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.71 -54.18 46.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mt -64.53 -37.01 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.396 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.2 ttp -59.34 -49.63 77.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.988 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 tp -71.13 -27.85 63.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 60.5 t90 -72.74 -22.95 60.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.017 -179.813 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo . . . . . 0 C--O 1.23 0.103 0 CA-C-O 120.82 0.258 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -68.61 -15.66 63.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -57.13 -51.72 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.315 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.22 -35.45 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.441 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.7 t -60.69 -49.73 83.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.749 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.401 HG22 HG23 ' B' ' 9' ' ' VAL . 96.4 t -62.04 -50.52 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.538 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.7 mt -56.34 -46.21 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.258 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -63.88 -38.76 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -65.01 -56.26 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.469 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -54.62 -44.87 71.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.353 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.64 -35.05 73.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.611 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.0 73.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.19 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.71 -33.83 66.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.47 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.88 -52.6 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.763 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.85 -36.64 67.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.441 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.72 -44.03 85.69 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.8 m -68.64 -37.97 80.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.787 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.9 mm -61.52 -41.52 90.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.757 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.406 ' CG2' HG23 ' B' ' 23' ' ' ILE . 44.4 mm -63.57 -44.65 98.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -72.37 -20.11 61.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.302 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -76.74 -40.5 48.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.34 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mm -62.91 -43.45 98.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 111.284 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.535 HG12 HD11 ' B' ' 27' ' ' ILE . 2.8 mp -76.39 -36.49 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.607 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.4 tp -50.09 -44.3 51.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.953 0.406 . . . . 0.0 110.397 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -79.56 -31.44 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.654 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 39.5 ttm -59.06 -52.04 67.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.964 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.3 tp -73.35 -24.05 60.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.689 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -65.69 -27.13 68.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.326 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.987 179.796 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -67.53 -26.38 66.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.778 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.5 t -72.21 -44.35 64.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.383 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.401 HG23 HG22 ' A' ' 10' ' ' VAL . 14.2 p -71.24 -31.25 43.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.355 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.1 -50.81 49.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 110.647 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.46 -37.31 79.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.621 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.0 t -67.26 -38.41 85.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.7 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.619 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -65.3 -57.5 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.501 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.0 tp -58.08 -41.05 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.288 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -69.49 -30.88 68.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 111.005 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.61 89.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.472 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.68 -31.68 67.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.436 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.4 t -66.94 -49.48 73.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.418 ' O ' HG12 ' B' ' 23' ' ' ILE . 24.5 m -62.91 -35.91 73.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.635 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.4 tp -57.87 -33.35 68.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.696 0.284 . . . . 0.0 110.732 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -74.26 -44.05 54.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.244 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.75 -36.92 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.438 ' O ' HG12 ' B' ' 27' ' ' ILE . 28.9 mm -62.68 -46.27 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.3 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.3 m -65.47 -36.94 85.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.056 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.73 -46.73 81.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.214 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.62 -40.0 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.882 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.535 HD11 HG12 ' A' ' 27' ' ' ILE . 39.7 mm -69.31 -43.5 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.219 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.51 -58.92 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 36.4 mm -56.85 -34.56 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.418 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.9 ttp -65.87 -43.63 87.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.256 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.5 tp -75.05 -23.64 58.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -71.85 -38.24 70.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.907 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.74 0.225 . . . . 0.0 112.175 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -65.59 -19.74 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -59.89 -46.79 88.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.99 -35.49 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.816 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.468 HG11 HG13 ' B' ' 9' ' ' VAL . 6.6 t -64.92 -48.38 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.308 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.1 -50.69 79.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.571 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.3 mt -56.09 -39.25 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.381 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -70.61 -38.93 74.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.29 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.85 -54.84 18.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.556 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.4 mt -55.22 -52.66 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.366 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 tp -53.78 -36.4 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -33.8 76.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.372 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.7 mt -73.08 -32.57 65.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.417 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.53 -46.58 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.917 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.41 -38.78 83.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.459 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.3 -37.81 75.8 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.3 m -73.54 -35.59 65.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.602 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.7 mm -63.84 -41.37 92.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.389 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -66.44 -42.61 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.618 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.5 t -70.28 -26.39 63.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.401 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 tp -67.63 -52.45 38.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.994 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.68 -39.79 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.601 HD11 HD11 ' B' ' 27' ' ' ILE . 50.6 mt -65.73 -41.67 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.279 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.6 tp -56.32 -51.84 66.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.038 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.2 mt -69.76 -32.99 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.8 ttm -61.36 -43.93 98.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.445 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.1 tp -79.06 -29.61 43.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.458 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -60.56 -33.95 73.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.748 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.764 179.797 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 11.2 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.604 0.24 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.04 -48.16 79.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.604 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.71 -35.02 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.35 . . . . 0.0 110.995 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.468 HG13 HG11 ' A' ' 9' ' ' VAL . 2.7 t -64.71 -48.76 83.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -58.04 -53.29 47.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.198 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.4 mm -59.81 -38.61 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.385 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -68.13 -38.81 82.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.05 -57.28 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.436 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tp -57.09 -41.73 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.428 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.08 -34.37 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.146 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.52 -34.37 78.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.266 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.18 -32.41 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.396 . . . . 0.0 110.636 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -69.03 -47.51 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.955 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -65.49 -30.84 51.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.173 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.94 -51.01 71.88 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.83 0.348 . . . . 0.0 110.562 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.9 m -64.41 -35.8 82.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.257 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 31.9 mm -64.05 -39.74 86.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.695 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mt -65.83 -37.06 79.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.805 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.5 m -73.59 -34.21 64.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.72 -42.9 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.397 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.38 -43.17 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.704 0.288 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.601 HD11 HD11 ' A' ' 27' ' ' ILE . 49.3 mm -66.16 -43.44 92.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.373 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.35 -54.79 42.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.407 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 54.3 mt -65.5 -31.16 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.358 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.8 ttp -66.73 -43.36 84.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 43.8 tp -79.63 -23.3 42.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -68.4 -38.14 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.929 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.254 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.839 0.266 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -66.98 -18.23 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.598 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -59.72 -46.23 89.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.275 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -65.46 -35.74 76.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.543 HG11 HG13 ' B' ' 9' ' ' VAL . 2.1 t -64.89 -44.08 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.2 t -66.25 -57.4 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.522 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.4 mt -53.02 -38.96 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.564 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -70.41 -42.29 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' B' ' 13' ' ' ALA . . . -62.28 -54.64 37.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.198 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.5 mm -55.32 -45.08 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.291 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.0 tp -59.04 -36.5 75.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.013 0.435 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.96 -30.78 70.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.228 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.05 -46.93 40.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.565 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 m -60.78 -39.69 82.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.545 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 23' ' ' ILE . 33.8 m -69.03 -36.14 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.944 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.7 -44.71 86.08 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.4 m -63.95 -34.95 79.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.53 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.73 -35.83 71.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.613 HG21 HG23 ' B' ' 23' ' ' ILE . 45.3 mm -63.71 -48.77 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.984 0.421 . . . . 0.0 110.554 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.7 p -73.72 -21.28 60.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.461 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.63 -47.9 71.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.35 -39.68 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.965 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.552 HD11 HD11 ' B' ' 27' ' ' ILE . 42.9 mm -73.01 -36.43 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.43 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -56.97 -46.71 82.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.58 -32.22 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.031 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.8 ttm -59.33 -50.89 72.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.2 tp -73.27 -29.89 63.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.396 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -63.89 -32.36 73.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.459 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.328 179.714 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 44.4 p90 . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.763 0.316 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -57.45 -51.98 67.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.26 -35.46 74.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.707 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.543 HG13 HG11 ' A' ' 9' ' ' VAL . 8.1 t -61.54 -55.54 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.785 0.326 . . . . 0.0 111.469 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 87.5 t -55.59 -49.21 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.746 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 43.8 mm -61.79 -41.04 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.244 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.4 t -66.64 -38.54 87.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.301 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . . . -68.7 -54.94 13.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.411 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.0 -41.57 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.348 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.1 tp -69.22 -37.57 78.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.351 . . . . 0.0 111.322 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.6 91.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.802 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.94 -31.56 72.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.892 0.377 . . . . 0.0 110.559 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.9 -47.46 62.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 20.1 m -65.77 -29.24 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.478 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 52.8 tp -67.41 -26.57 66.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.884 0.373 . . . . 0.0 110.366 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 86.0 m -83.55 -42.23 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.462 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.73 -42.06 91.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.587 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.613 HG23 HG21 ' A' ' 23' ' ' ILE . 18.8 tt -61.98 -38.68 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 89.1 p -73.74 -32.43 63.85 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.506 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 36.1 mt -65.6 -41.14 93.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.12 -39.72 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.578 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.552 HD11 HD11 ' A' ' 27' ' ' ILE . 47.0 mt -67.37 -44.23 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.005 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.24 -52.34 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.068 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 98.8 mt -67.13 -33.4 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.1 ttp -62.2 -42.23 99.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 37.7 tp -78.69 -23.86 45.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.8 t90 -69.61 -33.44 72.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.16 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.864 0.277 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -69.71 -15.4 63.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 10' ' ' VAL . 28.0 mmmt -57.14 -47.86 80.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.924 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.0 t -72.8 -42.65 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 m -66.73 -34.51 70.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 7' ' ' LYS . 9.2 p -71.44 -41.94 73.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.113 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -70.3 -34.34 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.389 . . . . 0.0 110.711 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -71.88 -38.6 69.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.692 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.587 ' HB3' ' HB2' ' B' ' 13' ' ' ALA . . . -65.27 -53.87 37.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 18' ' ' VAL . 80.8 mt -55.0 -48.33 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.88 -37.61 71.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.8 72.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.004 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.35 -31.81 64.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.408 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 14' ' ' ILE . 59.8 t -69.0 -41.4 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.8 m -73.41 -30.48 30.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.611 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.919 HD21 HD12 ' B' ' 23' ' ' ILE . 0.2 OUTLIER -58.45 -38.36 77.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.914 0.387 . . . . 0.0 110.055 179.501 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.1 m -74.94 -34.01 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.959 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.5 -46.58 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.0 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -57.92 -47.12 87.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -73.14 -23.76 60.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.536 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.01 -49.83 64.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.772 0.32 . . . . 0.0 111.15 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.1 mm -57.06 -39.6 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.434 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.551 HD11 HD13 ' B' ' 27' ' ' ILE . 25.8 mm -73.18 -36.86 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.511 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.83 -43.85 81.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.886 0.374 . . . . 0.0 110.576 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -79.45 -32.36 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.3 ttm -60.04 -49.92 75.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -75.12 -29.92 60.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -61.59 -30.41 70.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.669 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.827 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.024 0.44 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -58.23 -52.89 63.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.393 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.7 m -59.36 -35.54 58.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.425 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t -63.74 -49.52 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.401 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.37 -47.89 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.77 -35.62 68.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.233 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.5 t -68.08 -38.71 82.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.02 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . . . -68.92 -51.79 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.666 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 tp -62.1 -39.88 85.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.55 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -69.09 -42.33 76.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.22 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.51 89.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.567 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.41 -36.78 81.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.929 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.433 ' O ' HG12 ' B' ' 22' ' ' ILE . 98.5 t -68.42 -40.11 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.747 HG11 HD22 ' A' ' 20' ' ' LEU . 72.4 t -67.45 -39.92 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.471 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.61 -31.94 66.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.736 0.303 . . . . 0.0 110.738 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 59.7 m -78.52 -32.3 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.509 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.433 HG12 ' O ' ' B' ' 18' ' ' VAL . 46.8 mm -69.95 -46.78 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.919 HD12 HD21 ' A' ' 20' ' ' LEU . 30.3 pt -64.02 -32.71 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 94.0 p -72.43 -39.03 68.17 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.2 -39.25 92.59 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.709 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.71 -40.77 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.073 0.463 . . . . 0.0 110.577 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.551 HD13 HD11 ' A' ' 27' ' ' ILE . 53.1 mt -66.92 -46.1 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.951 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.5 tp -55.51 -56.44 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.999 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -62.88 -31.08 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.195 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 30.2 ttm -64.78 -44.64 89.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 49.4 tp -78.86 -23.72 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -69.52 -35.06 75.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.721 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.854 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.696 0.207 . . . . 0.0 112.099 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.401 ' O ' HG21 ' A' ' 10' ' ' VAL . 43.4 p90 -71.22 -17.15 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.98 -53.65 55.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.227 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -58.07 -35.06 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.585 HG11 HG12 ' B' ' 9' ' ' VAL . 2.8 t -64.99 -44.24 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 6' ' ' PHE . 67.2 t -66.64 -48.03 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.534 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.2 mm -58.07 -38.82 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.217 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.6 m -72.03 -39.8 68.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.208 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.86 -57.44 8.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.446 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 18' ' ' VAL . 86.6 mt -54.61 -46.55 72.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.83 -38.08 69.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.704 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.22 -33.58 76.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.042 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.19 -34.19 70.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.658 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 14' ' ' ILE . 47.0 t -67.04 -47.91 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 m -66.73 -31.06 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.417 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.888 HD22 HG13 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -57.99 -40.6 81.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.993 0.425 . . . . 0.0 110.226 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -73.72 -37.37 65.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.792 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.2 mt -64.77 -37.54 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.502 HG13 HD11 ' B' ' 20' ' ' LEU . 29.1 mm -66.81 -45.84 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.022 0.439 . . . . 0.0 110.457 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -73.43 -18.47 61.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.231 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.6 tp -75.43 -49.0 20.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.221 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.26 -41.68 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.458 ' HB ' HD12 ' B' ' 27' ' ' ILE . 10.2 tp -73.41 -36.26 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.184 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 tp -57.09 -50.23 73.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.938 0.399 . . . . 0.0 110.399 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mm -70.14 -34.57 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.751 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 44.0 ttm -60.71 -42.54 97.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.755 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.7 tp -79.29 -30.29 42.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.601 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -59.58 -35.03 73.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.579 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.633 179.559 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.945 0.402 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -58.01 -33.69 69.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 t -68.6 -36.06 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.585 HG12 HG11 ' A' ' 9' ' ' VAL . 6.5 t -69.67 -40.04 78.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.563 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.25 -56.39 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.77 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 13.5 pt -60.89 -38.97 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.615 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -66.18 -38.11 87.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.13 -56.17 12.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.428 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.3 tp -60.51 -40.66 85.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.132 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 tp -66.29 -36.72 83.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.812 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.56 96.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.178 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.38 -39.62 93.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.551 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.5 t -63.36 -35.58 72.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.164 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.888 HG13 HD22 ' A' ' 20' ' ' LEU . 76.4 t -70.62 -42.83 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.056 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.502 HD11 HG13 ' A' ' 23' ' ' ILE . 52.3 tp -57.72 -33.88 68.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.688 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 68.3 m -72.93 -42.17 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.211 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.401 ' O ' HG13 ' B' ' 26' ' ' ILE . 38.8 mm -61.42 -42.92 95.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.517 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.483 HG23 HG23 ' A' ' 23' ' ' ILE . 32.0 mm -61.74 -38.85 81.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.759 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.0 t -70.14 -35.64 74.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.428 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.48 -43.56 72.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 22' ' ' ILE . 96.3 mt -58.19 -43.29 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.458 HD12 ' HB ' ' A' ' 27' ' ' ILE . 87.2 mt -69.89 -38.26 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.63 -56.67 18.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.254 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 75.5 mt -64.32 -36.85 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.574 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.1 ttp -59.37 -39.05 82.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 tp -81.68 -23.88 36.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.652 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -67.97 -39.15 83.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.174 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.138 -179.827 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo . . . . . 0 C--O 1.23 0.104 0 CA-C-O 120.724 0.218 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -67.45 -17.05 64.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.82 -44.9 93.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.069 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.25 -36.0 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.294 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.413 HG11 HG13 ' B' ' 9' ' ' VAL . 2.3 t -64.12 -45.77 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.042 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.3 t -65.91 -55.53 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.449 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.2 mt -54.85 -37.72 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.369 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -70.46 -43.25 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -56.08 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -55.07 -41.87 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -56.52 -52.65 63.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.438 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.92 -32.97 70.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.304 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.22 -41.01 99.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.686 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.04 -34.19 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.802 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 15' ' ' LEU . 60.0 t -68.67 -37.58 77.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.521 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.406 ' O ' HG22 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -65.66 -32.61 74.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -74.94 -35.23 62.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.09 -43.3 51.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.994 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.679 HG21 HG21 ' B' ' 23' ' ' ILE . 9.0 tp -63.37 -38.97 83.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -73.99 -29.88 62.19 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.6 -39.02 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mm -62.19 -39.69 84.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.439 HD12 HD13 ' B' ' 27' ' ' ILE . 32.8 mt -71.44 -38.73 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.117 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.54 -46.2 89.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mm -75.23 -32.81 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.272 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.5 ttm -65.47 -43.85 89.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.203 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -78.32 -34.55 48.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.628 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -60.3 -32.35 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.628 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.757 0.313 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -58.7 -35.65 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.779 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.38 -35.76 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.052 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.413 HG13 HG11 ' A' ' 9' ' ' VAL . 3.5 t -68.29 -49.54 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.51 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.25 -55.68 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.88 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.62 -40.09 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.483 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.0 t -66.62 -38.25 86.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.218 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.43 -57.37 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.791 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 19.0 tt -59.94 -42.67 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.683 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 64.2 tp -63.25 -34.23 77.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.79 0.328 . . . . 0.0 110.811 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.0 82.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.354 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.93 -37.04 67.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.577 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -65.46 -43.23 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.401 ' O ' HG12 ' B' ' 23' ' ' ILE . 33.7 m -72.39 -32.04 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.394 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -57.51 -42.95 83.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.891 0.377 . . . . 0.0 110.326 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 61.7 m -66.91 -34.03 76.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.097 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.407 ' O ' HG13 ' B' ' 26' ' ' ILE . 43.9 mm -65.4 -46.2 90.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.595 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.679 HG21 HG21 ' A' ' 23' ' ' ILE . 49.3 mm -58.58 -36.7 60.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.7 m -71.12 -42.27 69.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.384 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.31 -35.86 80.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.219 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 22' ' ' ILE . 91.5 mt -62.54 -40.39 88.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.715 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.439 HD13 HD12 ' A' ' 27' ' ' ILE . 28.2 mt -70.72 -41.16 77.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.06 -55.66 30.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.244 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.5 mt -66.52 -37.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.419 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.4 ttp -57.2 -45.78 83.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.27 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 28.3 tp -79.79 -25.85 40.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -64.62 -34.89 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.724 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.555 179.818 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.837 0.265 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.483 ' O ' HG11 ' A' ' 9' ' ' VAL . 52.0 p90 -67.4 -15.78 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -57.06 -43.92 82.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.5 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.5 t -72.19 -42.59 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 6' ' ' PHE . 9.1 p -66.18 -34.62 71.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.3 t -71.4 -53.79 19.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.718 0.294 . . . . 0.0 111.022 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -57.21 -39.28 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.961 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -67.06 -38.96 86.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.878 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' B' ' 13' ' ' ALA . . . -64.57 -54.14 36.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -55.44 -45.92 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.174 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.9 tp -58.47 -37.99 76.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.92 -31.94 73.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.79 -37.2 65.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.19 -40.98 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.347 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.8 p -71.48 -29.34 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.531 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD1' HG13 ' B' ' 23' ' ' ILE . 46.5 tp -69.53 -25.74 64.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 110.715 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.9 m -83.24 -35.51 25.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.528 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.6 mt -72.77 -40.13 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.517 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.676 HG21 HG21 ' B' ' 23' ' ' ILE . 7.9 tp -64.55 -39.15 84.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.418 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.2 t -74.61 -31.31 61.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.974 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.94 -44.07 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.123 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.8 -39.67 84.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.519 HD12 HD13 ' B' ' 27' ' ' ILE . 59.3 mt -68.33 -38.59 79.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.254 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.49 -50.7 72.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.2 mm -70.58 -37.37 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.237 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.9 ttm -60.2 -51.46 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.826 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.5 tp -70.47 -26.82 63.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -64.93 -26.89 68.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.96 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 p90 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.838 0.351 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -59.04 -47.66 84.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.861 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.7 m -62.42 -35.24 68.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.663 0.268 . . . . 0.0 111.33 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.79 -49.52 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.687 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . 0.435 HG22 HG21 ' A' ' 9' ' ' VAL . 53.5 t -60.81 -48.85 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.526 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.3 -34.93 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.395 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -70.94 -38.84 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.143 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . . . -65.7 -53.2 44.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.587 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.08 -39.02 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.429 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.9 tp -69.46 -31.73 70.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.014 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.24 82.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.494 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -73.21 -36.63 66.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.797 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.24 -42.51 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.424 ' O ' HG12 ' B' ' 23' ' ' ILE . 32.9 m -74.31 -34.71 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.409 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.46 -43.93 84.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.71 0.291 . . . . 0.0 110.512 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -66.37 -32.8 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 0.0 110.102 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.404 ' O ' HG13 ' B' ' 26' ' ' ILE . 96.6 mt -70.46 -34.81 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.376 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.676 HG21 HG21 ' A' ' 23' ' ' ILE . 38.0 mm -64.07 -41.22 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.408 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 81.6 p -72.06 -38.39 69.47 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.49 -34.78 74.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.652 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.404 HG13 ' O ' ' B' ' 22' ' ' ILE . 96.7 mt -65.31 -40.67 89.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.76 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.519 HD13 HD12 ' A' ' 27' ' ' ILE . 38.4 mt -69.42 -42.5 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -55.92 -57.58 11.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.205 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.94 -30.66 51.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 36.6 ttm -61.39 -52.1 66.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 50.3 tp -74.01 -24.41 59.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.098 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -63.94 -35.51 80.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.822 0.259 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -71.1 -16.35 62.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -57.74 -53.21 60.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.374 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.93 -35.65 69.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.212 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.586 HG11 HG13 ' B' ' 9' ' ' VAL . 2.5 t -64.6 -45.73 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.339 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.79 -52.77 41.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.467 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -55.34 -38.72 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.437 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.5 t -70.26 -39.71 74.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.857 0.36 . . . . 0.0 111.105 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.37 -55.9 15.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.234 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.2 mt -55.35 -44.05 73.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.15 -39.56 79.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.05 -34.76 66.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.447 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.67 -45.68 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.455 ' O ' HG12 ' A' ' 23' ' ' ILE . 33.7 m -66.6 -35.03 73.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.365 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.726 HD22 HG11 ' B' ' 19' ' ' VAL . 1.3 tm? -57.95 -44.71 87.15 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.784 0.326 . . . . 0.0 110.241 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.8 m -66.28 -32.47 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.391 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.23 -34.07 53.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.51 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.515 HG21 HG22 ' B' ' 23' ' ' ILE . 34.7 mm -63.8 -49.44 81.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.675 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.0 p -73.54 -23.4 59.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.838 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.7 -51.49 58.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.636 0.255 . . . . 0.0 111.33 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -59.16 -41.05 82.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.084 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.568 HG13 HD11 ' B' ' 27' ' ' ILE . 33.5 mm -70.55 -35.89 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.29 -44.88 92.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -76.41 -40.85 35.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.382 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.5 ttp -59.5 -43.34 93.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.965 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -74.77 -27.09 60.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.329 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -70.46 -26.23 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.759 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.762 0.315 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -58.24 -51.89 67.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.265 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -61.93 -35.58 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.358 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.586 HG13 HG11 ' A' ' 9' ' ' VAL . 5.5 t -63.07 -51.97 64.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.252 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.1 -50.46 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.581 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.54 -33.53 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.17 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 44.8 t -71.53 -38.63 71.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.058 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.19 -53.88 15.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.479 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.6 tp -57.43 -41.83 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.405 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.2 tp -68.9 -34.48 75.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.93 99.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.69 -38.78 86.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.644 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.529 ' O ' HD13 ' B' ' 22' ' ' ILE . 47.9 t -67.48 -34.98 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.558 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.726 HG11 HD22 ' A' ' 20' ' ' LEU . 62.4 t -70.95 -34.59 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.433 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 23' ' ' ILE . 0.4 OUTLIER -67.18 -32.26 73.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.85 0.357 . . . . 0.0 110.627 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 40.5 m -76.5 -43.79 38.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.696 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.529 HD13 ' O ' ' B' ' 18' ' ' VAL . 1.7 mp -68.33 -41.56 83.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.008 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.515 HG22 HG21 ' A' ' 23' ' ' ILE . 17.0 tt -61.56 -37.54 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 84.5 p -74.08 -34.9 64.17 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.866 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.4 -44.93 93.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -54.44 -39.71 46.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.634 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.568 HD11 HG13 ' A' ' 27' ' ' ILE . 36.2 mt -69.58 -40.03 79.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.709 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.32 -58.16 9.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.102 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.29 -36.4 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 34.4 ttm -56.18 -46.9 79.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.982 0.42 . . . . 0.0 110.775 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -76.58 -23.78 53.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.937 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -68.52 -32.72 72.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.841 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.853 0.272 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -64.5 -15.72 61.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -57.1 -50.83 71.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.122 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -70.78 -35.73 61.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.282 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.517 HG11 HG13 ' B' ' 9' ' ' VAL . 4.3 t -58.89 -50.67 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.409 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.99 -58.71 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.592 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.4 mt -49.87 -38.83 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -71.7 -38.6 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.77 -57.31 10.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.894 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.4 pt -61.81 -38.45 80.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.37 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 tp -56.19 -54.91 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.676 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.12 -31.31 69.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.033 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.61 -36.58 82.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.544 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 14' ' ' ILE . 97.4 t -68.75 -39.81 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.268 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.419 HG12 HD22 ' B' ' 20' ' ' LEU . 58.9 t -63.05 -38.14 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.4 -38.15 73.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.223 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -71.59 -35.75 70.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.555 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mm -66.38 -38.9 82.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.714 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.596 HG21 HG22 ' B' ' 23' ' ' ILE . 42.3 mm -65.45 -45.39 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.767 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.9 t -73.31 -21.63 60.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.701 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -68.89 -49.95 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.741 0.305 . . . . 0.0 111.075 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -59.3 -39.65 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.595 HD11 HD11 ' B' ' 27' ' ' ILE . 41.8 mm -72.44 -36.72 55.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.52 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.43 -42.2 91.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.5 mm -79.08 -40.92 22.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.58 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 ttp -60.53 -38.78 85.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.725 0.297 . . . . 0.0 110.901 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.5 tp -77.9 -33.18 52.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.057 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.3 t90 -64.62 -29.83 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.664 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.771 179.869 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.935 0.398 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -58.01 -40.62 81.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.45 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.55 -35.14 73.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.81 0.338 . . . . 0.0 111.223 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.517 HG13 HG11 ' A' ' 9' ' ' VAL . 2.5 t -65.97 -48.65 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.214 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.39 -47.65 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.395 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.8 mt -66.38 -36.42 77.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.419 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -68.92 -38.73 79.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 111.115 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.38 -52.71 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.258 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.5 tp -59.99 -37.31 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.28 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.38 -36.56 76.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.232 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.96 79.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.275 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.64 -31.67 68.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 110.39 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.1 t -70.86 -42.37 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.11 -24.95 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.48 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.419 HD22 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -68.35 -26.92 65.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.975 0.417 . . . . 0.0 110.178 179.589 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 86.3 m -83.89 -42.35 16.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.585 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 66.1 mt -68.58 -38.07 78.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.596 HG22 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -63.15 -35.62 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.295 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.0 m -74.08 -44.18 54.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.956 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -55.18 -45.36 75.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.64 -40.34 50.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.608 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.595 HD11 HD11 ' A' ' 27' ' ' ILE . 46.0 mt -67.21 -47.35 81.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.78 -56.17 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.443 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.01 -34.56 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.341 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.4 ttp -60.68 -46.82 88.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 110.552 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 31.2 tp -75.46 -25.18 57.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.42 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -65.95 -33.54 76.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.778 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.972 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.799 0.25 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -70.97 -16.94 62.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.419 ' O ' HG12 ' A' ' 11' ' ' ILE . 33.9 ttmt -63.07 -42.97 99.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.762 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.2 t -72.42 -39.55 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.4 p -68.67 -32.31 54.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -71.09 -47.79 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.641 0.258 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 7' ' ' LYS . 37.5 mm -58.94 -41.55 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -69.36 -40.66 77.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB3' ' HB2' ' B' ' 13' ' ' ALA . . . -61.39 -53.93 50.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.1 mt -56.31 -49.1 78.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.357 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 tp -55.39 -40.3 71.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.54 -43.11 84.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.24 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.41 -33.5 75.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.5 t -68.87 -36.01 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.723 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.507 HG12 HD22 ' B' ' 20' ' ' LEU . 65.0 t -69.83 -44.01 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.188 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.777 HD21 HG11 ' B' ' 19' ' ' VAL . 1.7 tm? -57.29 -39.7 76.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.235 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.0 m -66.21 -33.92 76.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.581 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.3 mm -72.8 -38.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.775 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.64 HG21 HG22 ' B' ' 23' ' ' ILE . 49.2 mm -62.72 -47.55 92.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.987 0.422 . . . . 0.0 110.928 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.0 t -73.07 -22.42 60.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.472 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.6 tp -70.11 -45.68 66.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.6 mm -62.45 -41.17 90.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.343 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.598 HD11 HD11 ' B' ' 27' ' ' ILE . 46.1 mm -73.55 -36.51 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.624 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.7 tp -54.13 -50.93 65.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.998 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.93 -34.73 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.8 ttm -56.34 -45.41 80.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.686 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -78.87 -25.94 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.63 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -63.55 -32.17 73.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.674 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.942 179.692 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 p90 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.891 0.376 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -64.06 -40.42 96.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.9 t -62.85 -35.53 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 37.2 t -71.12 -45.21 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.353 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.67 -49.42 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.463 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.0 mm -63.46 -35.77 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.195 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.0 t -69.64 -38.53 77.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.423 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . . . -67.3 -56.07 11.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.495 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.1 tp -57.35 -42.46 80.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.574 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 tp -69.4 -35.6 75.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.028 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.07 88.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.36 -38.52 91.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.023 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -64.26 -38.39 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.623 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.777 HG11 HD21 ' A' ' 20' ' ' LEU . 84.4 t -72.74 -32.21 39.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.51 HD21 HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -65.33 -31.36 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.691 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 63.0 m -78.37 -45.28 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.152 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.29 -43.14 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.64 HG22 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -59.35 -38.39 74.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.67 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 95.1 p -73.99 -35.25 64.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.942 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.2 mt -62.93 -42.49 99.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.1 -39.67 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.444 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.598 HD11 HD11 ' A' ' 27' ' ' ILE . 21.6 mt -68.17 -41.83 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.862 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.3 -56.6 20.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.344 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.23 -32.53 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.511 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 59.5 ttp -62.08 -45.79 91.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 29.7 tp -78.38 -23.84 46.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.746 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -64.4 -35.23 80.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.209 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.241 -179.734 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.82 0.258 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -69.98 -16.42 63.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -57.95 -51.77 68.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.098 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.1 -35.62 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.207 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.542 HG11 HG13 ' B' ' 9' ' ' VAL . 2.7 t -64.03 -50.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.07 -56.1 19.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.558 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.3 mt -52.84 -36.49 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.426 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -71.65 -40.42 69.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.153 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.16 -56.36 11.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.375 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.22 -46.63 77.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.155 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.8 tp -54.77 -50.83 67.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.832 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.95 -32.83 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.2 tp -67.41 -35.27 78.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.356 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.83 -30.89 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.38 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.0 t -71.6 -31.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.411 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -29.09 66.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.908 0.385 . . . . 0.0 110.314 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.1 m -78.96 -36.98 40.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.683 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -74.21 -41.35 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.962 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.661 HG21 HG21 ' B' ' 23' ' ' ILE . 6.8 tp -61.8 -43.07 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.666 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.8 p -75.15 -29.36 60.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.32 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.8 -52.08 66.59 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.252 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -54.55 -39.46 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.631 HD11 HD12 ' B' ' 27' ' ' ILE . 38.6 mm -72.34 -36.2 54.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.487 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.67 -43.98 93.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.738 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.29 -34.45 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.4 ttm -60.89 -43.9 97.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.743 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.5 tp -77.24 -32.78 56.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.645 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.6 t90 -63.92 -26.46 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.802 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.583 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -58.54 -51.28 70.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.446 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.74 -35.46 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.63 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.542 HG13 HG11 ' A' ' 9' ' ' VAL . 3.3 t -60.7 -49.54 84.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 111.262 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.99 -48.19 87.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.391 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.9 mt -59.96 -35.65 62.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.285 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.5 t -71.83 -38.67 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.053 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.44 -54.64 21.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.41 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.28 -38.84 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.649 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 tp -69.4 -40.65 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.17 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.74 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.365 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -71.51 -39.05 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.753 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.2 t -64.63 -49.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.002 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.426 ' O ' HG12 ' B' ' 23' ' ' ILE . 33.5 m -64.46 -37.78 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.317 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.1 tp -57.4 -38.26 74.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.824 0.345 . . . . 0.0 110.414 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -71.79 -34.71 69.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 72.7 mt -67.83 -38.69 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.661 HG21 HG21 ' A' ' 23' ' ' ILE . 36.1 mm -60.15 -42.53 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.926 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.3 m -66.26 -39.5 89.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.16 -40.62 96.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.12 -41.16 90.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.631 HD12 HD11 ' A' ' 27' ' ' ILE . 31.2 mt -69.92 -39.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.089 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.1 -55.69 30.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.464 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.43 -37.23 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.399 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.2 ttp -58.7 -45.55 89.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.056 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.5 tp -79.21 -23.7 43.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -66.17 -36.39 82.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.064 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.678 -0.169 . . . . 0.0 112.678 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -130.02 -36.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 111.034 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -134.85 -76.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.1 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.3 mt -87.8 142.16 32.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.729 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.59 147.89 77.29 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.496 2.131 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -62.25 -15.07 44.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.776 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -56.6 -52.16 65.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.3 t -71.95 -35.63 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.607 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.405 HG11 HG13 ' B' ' 9' ' ' VAL . 4.7 t -59.76 -51.21 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 0.0 111.529 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.54 -58.44 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.686 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.1 mt -51.17 -37.1 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.615 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -72.05 -42.34 66.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.34 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.93 -52.54 55.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.411 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 18' ' ' VAL . 41.8 mm -54.68 -51.81 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.1 tp -55.6 -49.96 71.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.42 -32.04 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 tp -73.35 -31.61 64.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 14' ' ' ILE . 94.1 t -72.45 -44.07 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.486 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 m -64.16 -29.03 46.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.77 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.96 -35.63 81.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.023 0.439 . . . . 0.0 109.892 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.9 m -74.84 -34.17 62.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.341 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.3 mm -67.79 -50.7 57.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.567 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.569 HG21 HG21 ' B' ' 23' ' ' ILE . 19.0 tt -60.88 -33.82 56.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.9 t -73.67 -35.37 65.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.92 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.9 tp -59.12 -41.55 88.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.2 -40.37 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.044 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.45 HD12 HD13 ' B' ' 27' ' ' ILE . 41.7 mt -68.27 -38.95 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.217 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.5 tp -57.76 -54.77 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.164 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -68.42 -37.86 78.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.299 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.2 ttm -56.74 -52.07 66.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp -74.03 -23.78 59.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.648 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -64.81 -24.36 67.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.644 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -104.42 10.14 35.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -116.11 -67.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.735 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -106.59 117.89 55.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.656 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -52.26 148.98 23.61 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.366 2.044 . . . . 0.0 112.419 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -105.65 143.84 33.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.007 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -98.65 126.59 44.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.853 179.842 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.586 -0.206 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -97.24 5.11 50.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.7 m -136.0 -73.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 73.2 mt -70.16 154.64 94.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.709 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.455 ' O ' HG21 ' B' ' 8' ' ' VAL . 35.4 Cg_endo -64.92 154.69 71.88 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.343 2.029 . . . . 0.0 112.156 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -71.5 -17.24 62.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -61.51 -46.34 90.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.779 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.455 HG21 ' O ' ' B' ' 5' ' ' PRO . 23.1 m -59.88 -35.11 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.662 0.268 . . . . 0.0 111.295 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.405 HG13 HG11 ' A' ' 9' ' ' VAL . 2.5 t -64.04 -51.8 64.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -58.62 -52.06 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.371 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.94 -38.85 75.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.376 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -68.35 -38.73 81.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.57 -57.04 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.38 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 tp -57.02 -39.48 66.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.323 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.7 tp -68.81 -34.22 75.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.21 84.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.363 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.39 -33.83 71.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.716 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.1 t -69.33 -45.47 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.448 ' O ' HG12 ' B' ' 23' ' ' ILE . 35.8 m -70.08 -32.87 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.466 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 62.7 tp -57.57 -43.69 84.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.67 0.272 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -66.84 -38.1 85.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.318 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.5 -42.02 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.775 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.569 HG21 HG21 ' A' ' 23' ' ' ILE . 47.4 mm -59.82 -38.57 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.963 0.411 . . . . 0.0 110.358 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -72.65 -35.36 67.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.278 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.77 -33.65 76.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.39 -40.81 87.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.45 HD13 HD12 ' A' ' 27' ' ' ILE . 8.1 mt -68.13 -40.78 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.89 -54.35 48.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.29 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.75 -36.67 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.448 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.9 ttp -60.12 -44.92 94.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 46.9 tp -77.43 -23.86 50.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.626 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -68.31 -32.09 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -104.61 -9.06 18.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt 58.44 -85.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.398 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -73.53 143.64 82.6 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.25 167.85 5.54 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.406 2.071 . . . . 0.0 111.987 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -114.95 136.75 52.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -128.86 150.45 50.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.657 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 C--O 1.256 1.437 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.016 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.602 -0.199 . . . . 0.0 112.602 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 59.37 98.55 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.906 0.384 . . . . 0.0 110.99 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -100.82 145.42 28.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.3 145.67 76.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.45 153.88 75.38 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.536 2.157 . . . . 0.0 112.406 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -63.23 -15.24 56.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -56.89 -53.44 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.43 -35.75 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.523 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.66 -49.58 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.77 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.456 HG23 HG23 ' B' ' 9' ' ' VAL . 90.0 t -64.02 -52.49 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.638 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.14 -36.41 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.303 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -72.16 -39.83 68.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.012 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -63.56 -54.2 39.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.19 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -55.83 -49.12 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.166 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.3 tp -54.79 -49.2 71.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.28 -30.71 71.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.006 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 tp -73.07 -32.02 64.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.676 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -72.47 -48.61 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.121 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 23' ' ' ILE . 7.1 p -60.27 -34.11 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.553 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -57.67 -43.45 85.03 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.9 m -68.21 -32.32 72.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.422 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mm -67.91 -39.16 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.742 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 19' ' ' VAL . 47.6 mm -64.76 -48.99 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.1 p -69.43 -23.55 63.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.307 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -66.39 -47.82 72.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.383 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.4 mm -61.41 -39.72 83.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.7 mm -70.28 -36.61 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.302 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 tp -56.98 -50.48 72.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.319 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 mp -73.79 -39.01 51.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.246 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.8 ttp -57.89 -42.13 84.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 110.735 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.9 tp -79.66 -24.96 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.028 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -66.02 -26.72 67.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.545 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -103.51 9.7 37.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.753 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -114.44 143.69 44.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.525 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -64.02 113.49 10.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.89 158.45 20.86 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.263 1.976 . . . . 0.0 112.138 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -130.45 122.7 28.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -78.26 154.81 30.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -99.99 -30.49 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.75 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.5 m -60.99 -25.07 66.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.411 HD11 ' HD2' ' B' ' 5' ' ' PRO . 40.6 tp -84.66 124.07 73.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.479 ' O ' HG22 ' B' ' 8' ' ' VAL . 53.2 Cg_exo -53.61 133.96 56.06 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.234 1.956 . . . . 0.0 112.07 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.48 ' O ' HG13 ' B' ' 9' ' ' VAL . 1.9 p90 -71.4 -15.95 62.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.261 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -66.43 -40.74 89.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.479 HG22 ' O ' ' B' ' 5' ' ' PRO . 29.1 m -71.92 -35.82 55.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.48 HG13 ' O ' ' B' ' 6' ' ' PHE . 10.8 p -69.32 -36.79 73.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.44 -42.59 87.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.84 0.352 . . . . 0.0 110.693 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 89.6 mt -66.69 -36.43 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 72.7 m -69.29 -38.96 78.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.783 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -65.77 -54.24 29.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.457 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.5 tp -59.37 -42.47 87.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.16 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.6 tp -69.52 -27.59 65.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.048 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.95 -35.14 66.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.835 0.35 . . . . 0.0 110.577 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.94 -41.3 91.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.006 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.45 ' O ' HG12 ' B' ' 23' ' ' ILE . 26.3 m -75.62 -38.68 38.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.3 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 42.0 tp -59.11 -29.87 67.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.76 0.314 . . . . 0.0 110.619 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -78.31 -40.42 36.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.493 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 98.1 mt -68.3 -37.57 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.45 HG12 ' O ' ' B' ' 19' ' ' VAL . 31.0 mm -58.89 -42.92 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 79.0 p -73.09 -34.56 66.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.309 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.53 -40.27 96.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.86 -43.76 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.401 HG12 ' O ' ' B' ' 23' ' ' ILE . 40.5 mm -67.65 -37.43 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.11 -53.71 55.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.065 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.58 -34.06 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.9 ttp -58.96 -41.09 86.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 50.1 tp -82.19 -24.64 34.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -68.3 -33.32 74.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.017 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -99.94 10.53 41.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -56.57 -39.3 73.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.53 118.41 62.28 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.0 137.99 70.46 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.377 2.051 . . . . 0.0 112.061 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -129.27 140.44 51.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.732 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -115.34 137.05 52.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.864 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -94.67 -69.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.749 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 m -129.32 142.56 50.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.1 tp -97.08 106.58 32.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.67 148.43 90.28 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.462 2.108 . . . . 0.0 112.162 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -64.16 -16.1 61.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -57.52 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -72.12 -36.08 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.769 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.581 HG11 HG12 ' B' ' 9' ' ' VAL . 2.4 t -62.23 -52.16 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.591 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -57.93 -55.75 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.9 mt -55.49 -35.59 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.679 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -70.98 -43.39 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -63.82 -52.39 60.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.338 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.9 mt -57.46 -49.52 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.171 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 tp -53.5 -52.44 59.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.56 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.4 tp -72.23 -31.54 65.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.638 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.6 t -72.97 -45.9 53.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.231 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.2 m -64.09 -30.79 50.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.241 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.68 -40.26 83.05 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.5 m -70.65 -33.38 70.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.664 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -70.53 -36.77 67.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.879 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.596 HG21 HG22 ' B' ' 23' ' ' ILE . 36.4 mm -63.89 -45.96 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.014 0.435 . . . . 0.0 110.634 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.9 t -73.62 -25.9 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.295 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.8 tp -64.6 -46.38 82.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.241 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -62.73 -39.45 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.198 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.591 HD11 HD11 ' B' ' 27' ' ' ILE . 40.4 mm -72.05 -36.48 57.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.449 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.06 -42.83 86.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.797 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mm -79.29 -37.02 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.041 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.416 ' HG2' ' NZ ' ' A' ' 34' ' ' LYS . 48.6 ttm -59.06 -44.89 91.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.714 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.4 tp -75.67 -30.59 59.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.43 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -61.18 -32.4 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.497 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -105.39 8.31 33.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.78 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' NZ ' ' HG2' ' A' ' 30' ' ' MET . 5.1 ttmp? -93.28 -41.45 9.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -100.77 132.27 22.42 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.756 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.26 161.58 16.27 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.637 2.224 . . . . 0.0 112.725 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -131.32 145.73 51.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.675 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -126.38 114.78 18.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.234 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.351 179.521 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -110.2 -10.39 14.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -110.09 123.54 49.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -96.51 148.76 34.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.711 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.445 ' O ' HG22 ' B' ' 8' ' ' VAL . 30.1 Cg_endo -63.41 152.63 79.12 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.421 2.081 . . . . 0.0 112.322 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -71.64 -16.22 62.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -57.9 -50.93 71.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.496 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 5' ' ' PRO . 28.7 m -59.3 -35.49 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.268 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.581 HG12 HG11 ' A' ' 9' ' ' VAL . 6.4 t -61.61 -51.54 71.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.881 0.372 . . . . 0.0 111.008 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.17 -54.14 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.61 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.8 mt -57.84 -37.35 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.326 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -70.32 -38.4 74.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.182 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -66.26 -55.89 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.59 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 19.3 tt -60.63 -38.64 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.384 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.1 -33.23 73.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.668 0.271 . . . . 0.0 110.982 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.16 -32.07 73.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -73.58 -33.49 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.614 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.24 -41.07 78.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 31.5 m -73.71 -27.09 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.263 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 tp -71.59 -26.47 62.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.818 0.342 . . . . 0.0 110.494 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -83.74 -35.94 24.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.407 ' O ' HG13 ' B' ' 26' ' ' ILE . 97.8 mt -73.34 -40.36 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.707 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.596 HG22 HG21 ' A' ' 23' ' ' ILE . 18.6 tt -61.82 -36.05 71.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 83.8 p -74.07 -37.54 64.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.884 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.55 -41.77 97.86 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 22' ' ' ILE . 85.5 mt -56.34 -39.62 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.015 0.436 . . . . 0.0 110.25 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.591 HD11 HD11 ' A' ' 27' ' ' ILE . 38.8 mt -68.71 -39.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.703 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -55.85 29.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.939 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.55 -32.02 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.091 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 32.0 ttm -58.73 -47.05 85.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.057 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.1 tp -81.89 -23.82 36.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -65.69 -35.4 80.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -100.61 10.04 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -138.51 104.62 5.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.981 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -108.99 117.78 52.93 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.21 126.21 11.52 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.231 1.954 . . . . 0.0 112.418 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.473 ' HD3' ' H ' ' B' ' 37' ' ' ARG . 0.0 OUTLIER -55.83 150.74 12.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.786 179.8 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -110.78 127.93 55.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.857 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -153.46 178.58 9.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.72 0.295 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -89.52 148.18 23.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.054 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.6 mt -85.01 149.92 54.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.67 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.1 166.06 11.37 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.659 2.239 . . . . 0.0 112.271 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -70.61 -16.42 62.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.25 -48.61 78.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.547 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.31 -35.77 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.447 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.53 HG11 HG13 ' B' ' 9' ' ' VAL . 2.6 t -62.6 -46.42 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.51 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.15 -52.13 60.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.982 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -57.85 -41.77 80.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.752 0.311 . . . . 0.0 111.492 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -69.12 -38.82 79.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.249 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' B' ' 13' ' ' ALA . . . -66.99 -57.21 7.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.507 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -54.86 -47.08 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.513 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 tp -54.47 -38.0 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.16 89.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.63 -35.05 79.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.083 0.468 . . . . 0.0 110.446 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.82 -38.43 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.557 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.484 HG12 HD11 ' B' ' 20' ' ' LEU . 97.7 t -67.03 -43.3 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.416 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -38.92 76.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.476 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -67.52 -34.71 77.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.97 -36.78 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.944 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.508 HG21 HG23 ' B' ' 23' ' ' ILE . 37.2 mm -63.39 -47.01 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.557 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 t -73.4 -24.14 60.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.635 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.76 -58.98 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 0.0 111.193 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.3 mt -54.19 -39.58 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.556 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.472 HG13 HD11 ' B' ' 27' ' ' ILE . 49.7 mm -70.45 -36.8 68.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.274 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 tp -57.83 -45.77 85.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.748 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.8 mt -78.52 -32.82 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.0 ttm -59.11 -42.95 91.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.307 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.9 tp -80.11 -25.74 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.245 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -62.67 -30.89 71.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.66 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -105.15 4.89 31.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -93.81 -38.6 11.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.49 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -116.26 118.88 37.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.693 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.08 159.43 26.03 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.407 2.071 . . . . 0.0 112.105 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -88.98 143.01 27.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -145.5 140.49 27.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.811 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--O 1.233 0.211 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.233 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -109.44 121.7 45.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.807 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 47.5 t -103.41 136.92 42.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.402 ' HB3' HG22 ' B' ' 8' ' ' VAL . 10.6 mp -91.4 153.47 44.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.429 ' O ' HG21 ' B' ' 8' ' ' VAL . 41.6 Cg_endo -67.31 169.02 16.28 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.379 2.053 . . . . 0.0 112.157 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -71.49 -17.29 62.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -60.37 -53.26 59.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.5 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.429 HG21 ' O ' ' B' ' 5' ' ' PRO . 34.1 m -58.38 -35.18 52.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.233 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.53 HG13 HG11 ' A' ' 9' ' ' VAL . 3.5 t -63.48 -47.26 92.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.321 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.48 -52.64 58.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.35 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -59.62 -37.18 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.122 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.1 m -69.77 -38.83 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.847 0.356 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . . . -64.91 -55.07 21.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.516 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 19.5 tt -62.76 -41.66 93.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.618 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 tp -65.65 -33.32 75.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 110.768 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.71 84.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.4 -33.83 67.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.566 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.449 ' O ' HG12 ' B' ' 22' ' ' ILE . 71.6 t -67.05 -45.32 87.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.891 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.47 -31.29 42.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.374 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.484 HD11 HG12 ' A' ' 19' ' ' VAL . 42.2 tp -62.33 -31.48 72.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.826 0.346 . . . . 0.0 110.453 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.4 m -79.25 -36.04 40.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.297 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.449 HG12 ' O ' ' B' ' 18' ' ' VAL . 47.0 mm -66.66 -50.43 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.513 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.508 HG23 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -57.67 -32.3 42.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.555 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 37.9 t -73.22 -41.62 63.55 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.026 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.09 -39.58 95.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.119 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -57.98 -39.74 73.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.472 HD11 HG13 ' A' ' 27' ' ' ILE . 45.0 mt -66.3 -45.8 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.046 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.3 tp -57.63 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.399 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.82 -32.33 51.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.265 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 55.6 ttp -64.65 -47.5 78.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.6 tp -75.53 -23.95 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.724 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -68.46 -35.29 77.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.187 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -94.53 10.51 34.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -132.5 113.42 13.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.019 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -92.2 152.04 42.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.694 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.38 153.23 77.48 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.338 2.025 . . . . 0.0 112.036 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -98.0 145.31 26.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -123.21 125.06 44.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.898 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.13 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -63.98 145.96 54.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.326 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 m -101.66 -43.84 5.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -114.11 101.27 53.89 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.827 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.96 166.92 13.12 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.416 2.077 . . . . 0.0 112.246 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -62.38 -15.7 50.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.06 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -56.88 -52.68 64.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.506 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.98 -35.46 54.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.705 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.413 HG11 HG12 ' B' ' 9' ' ' VAL . 2.7 t -61.33 -53.31 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.684 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.2 t -59.52 -53.68 44.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.062 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -54.62 -41.62 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.657 0.265 . . . . 0.0 111.589 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -70.2 -39.55 75.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.44 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.9 -54.91 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.557 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.6 mt -54.7 -50.5 59.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.402 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.51 -36.05 66.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HB3' ' HB1' ' B' ' 16' ' ' ALA . . . -66.12 -32.47 73.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.01 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.15 -31.85 64.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 22' ' ' ILE . 60.8 t -69.14 -48.19 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.8 m -62.66 -33.44 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.533 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -36.31 73.84 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -76.52 -34.2 58.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.483 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 18' ' ' VAL . 49.9 mm -65.93 -41.73 90.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.704 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.622 HG23 HG23 ' B' ' 23' ' ' ILE . 35.6 mm -69.85 -38.2 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -73.07 -27.95 62.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.5 tp -65.84 -37.53 86.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.703 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.1 mm -67.71 -40.53 84.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.462 HD12 HD13 ' B' ' 27' ' ' ILE . 20.2 mt -70.4 -37.3 70.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.053 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.06 -47.78 83.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.115 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.3 mm -76.91 -36.67 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.34 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.1 ttm -59.66 -42.68 93.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.725 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -80.63 -27.49 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.484 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -63.5 -31.74 72.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -104.33 10.55 35.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -97.3 -56.34 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.763 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -85.54 156.38 59.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.54 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.9 135.08 66.65 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.447 2.098 . . . . 0.0 112.375 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -70.6 144.26 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -102.9 155.08 18.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.939 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.89 179.852 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 59.53 93.07 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.729 0.299 . . . . 0.0 111.149 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t 60.39 105.6 0.02 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' B' ' 5' ' ' PRO . 77.8 mt -109.89 137.78 20.55 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.492 ' HB2' ' HG2' ' B' ' 7' ' ' LYS . 35.8 Cg_exo -62.35 150.43 87.21 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.542 2.161 . . . . 0.0 112.333 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -71.37 -19.47 62.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.711 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.492 ' HG2' ' HB2' ' B' ' 5' ' ' PRO . 20.1 ptpt -65.92 -25.41 67.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.572 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.42 -35.78 76.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.682 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.413 HG12 HG11 ' A' ' 9' ' ' VAL . 3.4 t -71.57 -47.12 59.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.847 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -57.89 -53.58 43.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.252 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.14 -33.64 47.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.942 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -70.77 -39.2 73.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.73 -53.61 38.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.299 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 32.3 mm -57.59 -53.43 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.25 -34.92 74.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.394 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.431 ' HB1' ' HB3' ' A' ' 16' ' ' ALA . . . -64.28 -40.77 96.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.504 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.93 -31.76 66.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.452 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.37 -41.56 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.856 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.521 ' O ' HG12 ' B' ' 23' ' ' ILE . 32.7 m -76.13 -35.15 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.46 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.499 HD11 HG13 ' A' ' 23' ' ' ILE . 58.0 tp -57.28 -37.85 73.04 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.704 0.287 . . . . 0.0 110.533 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 51.6 m -71.75 -29.78 64.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.947 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.415 ' O ' HG13 ' B' ' 26' ' ' ILE . 97.0 mt -72.97 -37.39 53.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.712 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.622 HG23 HG23 ' A' ' 23' ' ' ILE . 37.2 mm -62.61 -40.18 87.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.844 0.354 . . . . 0.0 110.36 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 82.7 p -73.36 -38.74 65.6 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.511 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.2 mt -59.3 -39.69 83.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.715 0.293 . . . . 0.0 110.966 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 22' ' ' ILE . 90.7 mt -62.13 -40.46 87.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.462 HD13 HD12 ' A' ' 27' ' ' ILE . 31.7 mt -65.8 -42.87 93.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.729 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.43 -59.23 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.164 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.4 mt -62.3 -32.87 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 36.0 ttm -58.93 -50.67 73.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.5 tp -76.67 -23.59 53.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.318 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 t90 -69.45 -38.78 77.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -89.26 10.18 23.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.968 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -73.74 -40.68 63.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.724 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -68.06 149.16 98.27 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.629 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.28 144.57 37.21 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.445 2.096 . . . . 0.0 112.488 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -91.44 135.07 34.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.667 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -151.68 143.09 23.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.057 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.448 -0.786 . . . . 0.0 110.829 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -107.27 115.84 30.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.962 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 m -144.26 -12.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -105.43 150.59 39.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.044 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.43 165.86 21.25 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.581 2.187 . . . . 0.0 112.233 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -71.14 -17.43 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.99 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -59.08 -47.81 83.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.23 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.1 -35.87 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.099 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 t -64.19 -49.61 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.584 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.47 HG23 HG23 ' B' ' 9' ' ' VAL . 91.0 t -61.13 -54.8 30.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.409 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -53.98 -35.81 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.282 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -72.25 -40.15 67.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.021 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -64.37 -56.67 12.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.415 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.27 -45.1 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -56.71 -49.26 75.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.1 71.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.086 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.84 -31.96 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -73.21 -45.93 51.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.189 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.42 -30.62 49.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.056 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.682 HD22 HG13 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -59.74 -37.23 78.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.95 0.405 . . . . 0.0 110.169 179.697 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 m -75.83 -30.19 58.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.587 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mm -69.06 -44.58 81.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.859 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.536 HG13 HD11 ' B' ' 20' ' ' LEU . 49.8 mm -64.38 -43.11 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.24 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.2 p -72.75 -24.4 60.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.195 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.85 -53.65 25.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mt -56.18 -39.85 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.596 HD11 HD12 ' B' ' 27' ' ' ILE . 46.1 mm -69.73 -36.77 71.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.44 -49.45 77.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.753 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.4 mm -72.19 -31.89 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.4 ttm -62.36 -47.51 83.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.805 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.74 -35.14 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -62.38 -30.31 71.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.361 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -102.57 -0.23 32.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.656 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 60.9 -85.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.297 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -63.22 154.89 76.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.016 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.04 162.88 4.82 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.391 2.06 . . . . 0.0 112.133 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -87.23 129.02 35.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -153.6 121.25 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.798 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -85.86 105.66 16.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -73.93 176.97 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 61.5 mt -115.83 116.91 40.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.597 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.93 168.45 0.83 Allowed 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.278 1.986 . . . . 0.0 112.605 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.456 ' O ' HG13 ' B' ' 9' ' ' VAL . 17.4 t80 -64.28 -53.06 54.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.579 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -70.12 -34.15 72.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.761 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -72.18 -40.16 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.47 HG23 HG23 ' A' ' 10' ' ' VAL . 10.1 p -67.64 -37.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 89.6 t -66.13 -42.96 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 111.089 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -70.36 -32.46 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -71.33 -38.43 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -66.95 -56.45 10.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.354 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 tp -56.13 -40.64 65.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.501 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.3 tp -69.41 -40.32 77.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.18 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.06 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.68 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.95 -36.85 80.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -69.55 -38.21 76.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.682 HG13 HD22 ' A' ' 20' ' ' LEU . 88.8 t -67.02 -45.95 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.299 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.536 HD11 HG13 ' A' ' 23' ' ' ILE . 33.7 tp -57.63 -37.07 72.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.847 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.406 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 91.2 m -65.7 -42.57 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.258 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.402 ' O ' HG13 ' B' ' 26' ' ' ILE . 46.6 mm -65.77 -44.5 93.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.45 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.417 HG12 ' O ' ' B' ' 19' ' ' VAL . 28.9 mm -56.62 -37.96 55.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.531 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -71.28 -41.46 69.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.243 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 21' ' ' THR . 97.0 mt -61.2 -39.32 89.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.227 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 22' ' ' ILE . 81.2 mt -59.5 -45.64 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.369 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.596 HD12 HD11 ' A' ' 27' ' ' ILE . 41.7 mt -65.86 -39.88 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.316 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.1 -57.66 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.317 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mt -64.93 -32.42 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.282 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.0 ttp -61.88 -46.88 87.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.015 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 42.6 tp -79.18 -23.68 43.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -67.3 -34.66 77.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -98.37 -8.23 27.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.991 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -85.13 96.9 9.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 110.538 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -98.62 135.26 21.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.948 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.14 122.46 9.3 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.446 2.097 . . . . 0.0 112.219 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -116.87 130.37 56.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -115.7 142.69 46.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.291 -0.862 . . . . 0.0 110.905 -179.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -94.72 -65.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.679 0.276 . . . . 0.0 111.016 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t 57.79 92.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.038 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 mp -62.62 123.39 79.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.48 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.25 152.75 74.51 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.356 2.037 . . . . 0.0 112.23 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -68.58 -19.9 64.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -59.69 -45.13 93.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.17 -36.03 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.676 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG11 HG12 ' B' ' 9' ' ' VAL . 3.3 t -65.26 -42.54 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.811 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.71 -50.94 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.609 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.3 mt -57.57 -37.65 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.85 0.357 . . . . 0.0 111.246 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -72.1 -38.73 69.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -55.74 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.318 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.3 mt -54.89 -48.56 74.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.271 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 tp -57.05 -34.36 68.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.682 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.61 74.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.182 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.43 -31.83 65.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.737 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 22' ' ' ILE . 48.3 t -68.78 -48.24 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.311 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.6 m -64.13 -31.83 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.74 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.03 -32.71 73.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 109.968 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.8 m -78.14 -35.09 49.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.513 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 18' ' ' VAL . 46.8 mm -69.64 -44.73 79.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.597 HG21 HG21 ' B' ' 23' ' ' ILE . 17.3 tt -64.65 -36.86 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -73.57 -32.01 63.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.03 -37.59 87.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -65.2 -40.85 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.441 HD12 HD13 ' B' ' 27' ' ' ILE . 43.6 mt -69.34 -36.68 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.46 -55.4 35.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.157 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -68.79 -38.42 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.512 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.3 ttm -57.73 -51.47 69.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.902 0.382 . . . . 0.0 110.556 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.505 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 36.8 tp -70.92 -26.06 63.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.681 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -68.62 -18.85 64.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -101.62 10.62 40.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.354 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.505 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 18.8 ptpt -141.85 -2.51 1.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.121 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -90.36 133.73 32.56 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.645 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.47 133.64 58.23 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.314 2.01 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -86.0 140.49 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -134.41 123.02 23.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.806 179.918 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -103.77 -58.88 1.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.33 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.0 t -71.11 139.11 50.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 70.4 mt -92.2 148.37 36.52 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.419 ' O ' HG22 ' B' ' 8' ' ' VAL . 40.2 Cg_endo -65.88 167.65 17.18 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.562 2.175 . . . . 0.0 112.272 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -71.61 -16.68 62.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -58.11 -51.22 70.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.222 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.419 HG22 ' O ' ' B' ' 5' ' ' PRO . 26.8 m -62.78 -35.02 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.476 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.489 HG12 HG11 ' A' ' 9' ' ' VAL . 2.8 t -62.2 -51.2 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.777 0.322 . . . . 0.0 111.292 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.38 -48.33 89.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.469 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.96 -37.93 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.455 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 40.8 t -71.14 -38.58 72.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.203 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.11 75.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.66 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 20.2 tt -71.23 -38.01 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.621 0.248 . . . . 0.0 111.597 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 tp -68.08 -38.65 82.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.05 82.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.396 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.83 -32.22 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.956 0.408 . . . . 0.0 110.469 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.32 -42.99 81.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.695 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.458 ' O ' HG12 ' B' ' 23' ' ' ILE . 30.1 m -73.47 -31.77 34.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.379 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.59 -42.1 82.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.811 0.338 . . . . 0.0 110.466 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 62.7 m -68.2 -30.29 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.267 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.429 ' O ' HG13 ' B' ' 26' ' ' ILE . 82.6 mt -73.7 -39.64 53.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.751 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 23' ' ' ILE . 49.2 mm -61.52 -39.56 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.422 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 87.4 p -73.05 -38.25 66.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.966 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.33 -40.17 89.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 22' ' ' ILE . 90.0 mt -60.76 -39.72 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.441 HD13 HD12 ' A' ' 27' ' ' ILE . 21.8 mt -65.94 -39.64 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.908 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.2 -58.26 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.209 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 21.4 mm -60.67 -37.81 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.36 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 37.6 ttm -57.79 -51.19 70.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.039 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 35.2 tp -75.08 -23.41 58.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -66.29 -39.17 89.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.289 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -96.83 2.44 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.283 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.461 ' HE2' ' HZ1' ' A' ' 34' ' ' LYS . 65.7 tttp -87.21 -50.53 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.666 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.453 ' HD2' ' HD2' ' B' ' 36' ' ' PRO . 27.9 tptp -83.31 117.1 67.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.744 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . 0.453 ' HD2' ' HD2' ' B' ' 35' ' ' LYS . 60.7 Cg_endo -73.1 161.06 44.23 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.3 2.0 . . . . 0.0 112.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -107.6 123.49 48.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -94.12 140.68 29.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.807 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -119.27 148.65 42.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -102.34 139.07 38.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.75 145.87 51.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -61.95 166.08 13.03 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.668 2.246 . . . . 0.0 112.196 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -65.13 -17.35 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -59.32 -48.57 81.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.219 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.18 -35.57 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.188 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.47 HG11 HG12 ' B' ' 9' ' ' VAL . 2.5 t -63.47 -44.83 98.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.249 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.54 -54.73 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.676 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.8 mt -53.28 -38.27 30.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.383 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -71.39 -41.2 69.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.055 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.83 -57.13 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.484 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -55.25 -46.03 77.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.045 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 tp -55.04 -39.51 69.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.789 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.89 95.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.243 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.84 -36.83 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.615 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 22' ' ' ILE . 64.2 t -65.13 -43.02 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.716 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.636 HG12 HD21 ' B' ' 20' ' ' LEU . 79.8 t -63.03 -41.87 94.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.509 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -57.42 -41.56 80.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 110.325 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -64.42 -33.46 75.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 18' ' ' VAL . 48.7 mm -70.49 -45.17 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.842 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.78 HG21 HG22 ' B' ' 23' ' ' ILE . 42.8 mm -61.69 -46.4 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -67.75 -31.73 71.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.39 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.84 -46.72 86.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.984 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.0 mt -61.21 -39.23 81.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.487 HG12 HG12 ' B' ' 27' ' ' ILE . 49.8 mt -66.89 -39.28 83.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.022 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.68 -45.57 93.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.172 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.37 -43.07 50.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.374 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.6 ttm -58.78 -39.09 80.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.1 tp -81.14 -29.26 34.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.527 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.1 t90 -63.0 -32.27 73.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.462 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -105.4 -12.61 15.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.774 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt 60.87 13.7 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.803 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -109.76 152.53 42.96 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.95 143.12 25.81 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.501 2.134 . . . . 0.0 112.305 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -126.09 139.62 53.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.748 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -127.94 154.09 45.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.131 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.365 -0.294 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 80.3 m80 57.36 -168.29 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.735 0.302 . . . . 0.0 110.969 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t 59.29 -172.07 0.11 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -85.66 142.12 36.85 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.506 ' O ' HG22 ' B' ' 8' ' ' VAL . 26.8 Cg_exo -62.35 133.05 41.25 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -71.63 -19.08 62.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -57.9 -50.45 73.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.319 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.506 HG22 ' O ' ' B' ' 5' ' ' PRO . 32.9 m -61.52 -35.27 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.518 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.47 HG12 HG11 ' A' ' 9' ' ' VAL . 3.5 t -63.8 -50.16 78.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.779 0.323 . . . . 0.0 111.084 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -59.32 -48.05 88.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.525 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.41 -36.29 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.308 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -69.57 -39.03 77.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.94 -56.29 10.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.321 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.3 tp -56.43 -41.25 71.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.404 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 tp -69.17 -35.95 76.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.217 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.42 87.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.336 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.68 -32.49 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.838 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t -68.7 -43.33 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.129 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.71 -21.77 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.605 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.636 HD21 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -68.77 -34.0 74.83 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.936 0.398 . . . . 0.0 110.471 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 44.5 m -80.75 -36.97 31.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.519 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.72 -39.68 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.78 HG22 HG21 ' A' ' 23' ' ' ILE . 19.2 tt -65.27 -36.42 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 78.6 p -74.03 -39.7 63.38 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 46.2 mt -58.64 -36.8 74.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.02 -39.79 79.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.371 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.487 HG12 HG12 ' A' ' 27' ' ' ILE . 20.6 mt -66.67 -43.87 90.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.833 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.4 tp -56.57 -58.11 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.3 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.0 -37.39 78.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.316 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.6 ttp -61.67 -40.6 95.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.771 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -82.02 -23.51 35.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -69.09 -31.66 70.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.569 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -100.65 10.04 41.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.499 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.6 -62.29 1.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.855 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -103.0 113.06 66.16 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.43 121.89 5.82 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.409 2.073 . . . . 0.0 112.454 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' B' ' 37' ' ' ARG . 5.4 mpt_? -84.29 139.2 32.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.064 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -87.67 141.6 28.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.676 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.375 -0.822 . . . . 0.0 110.84 -179.866 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -113.48 124.93 53.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.2 m -95.44 -55.73 2.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.795 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.2 tp -113.5 96.43 40.08 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.804 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.99 133.06 32.08 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.382 2.055 . . . . 0.0 112.24 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -67.4 -15.95 63.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.746 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.51 -52.58 64.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.206 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.61 -35.85 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.346 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.41 -51.84 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.633 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.26 -48.64 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.833 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.0 mt -58.71 -38.06 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.426 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -71.27 -38.64 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.046 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -66.04 -57.34 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.451 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.6 mt -54.6 -41.92 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.09 -38.04 81.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.07 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.47 86.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.064 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.4 -40.13 96.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.09 -34.68 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.468 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.7 t -72.09 -39.98 66.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.396 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.59 -38.05 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.108 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -71.13 -44.74 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.89 -42.37 92.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.593 HG13 HD11 ' B' ' 20' ' ' LEU . 39.1 mm -65.55 -43.01 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 t -73.52 -19.51 60.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.317 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.1 tp -76.65 -54.58 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.484 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mt -57.11 -39.81 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.348 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 tp -71.52 -36.23 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.0 tp -58.15 -47.86 82.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.609 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.9 mm -71.2 -32.09 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.796 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.59 -46.25 90.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.0 tp -76.99 -27.06 54.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.4 t90 -64.09 -28.45 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -102.59 10.31 38.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.238 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -120.51 161.97 20.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.737 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -79.66 113.43 37.28 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.69 149.53 73.53 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.394 2.063 . . . . 0.0 112.755 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -98.73 118.33 35.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.648 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -93.02 119.67 32.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.077 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.007 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.594 -0.202 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -116.32 -43.93 2.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.783 0.325 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -95.71 -70.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.4 mt -119.96 152.42 54.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.792 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.58 118.42 5.52 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.406 2.07 . . . . 0.0 112.535 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -71.76 -16.58 62.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.81 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -65.47 -30.2 70.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.108 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 t -72.55 -42.94 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.79 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.72 -33.95 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.767 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.7 -51.65 53.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.737 0.304 . . . . 0.0 111.168 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.62 -34.11 65.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -70.07 -38.42 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -61.83 -57.03 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.54 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 16.4 tt -59.64 -42.22 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.467 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 tp -65.88 -28.76 69.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.82 89.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.301 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.78 -32.8 63.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.11 -42.91 88.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.442 ' O ' HG12 ' B' ' 23' ' ' ILE . 29.2 m -72.15 -34.45 49.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.301 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.593 HD11 HG13 ' A' ' 23' ' ' ILE . 55.5 tp -58.2 -41.29 83.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.945 0.403 . . . . 0.0 110.481 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.4 m -68.06 -35.72 78.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.68 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -70.68 -37.73 70.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.497 HG23 HG23 ' A' ' 23' ' ' ILE . 32.6 mm -61.63 -39.1 81.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 110.227 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.2 t -73.28 -37.54 66.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.27 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.57 -42.37 95.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.295 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 98.4 mt -60.46 -39.58 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.892 0.377 . . . . 0.0 110.992 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 82.8 mt -72.92 -37.31 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.307 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.71 -54.18 46.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mt -64.53 -37.01 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.396 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.2 ttp -59.34 -49.63 77.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.988 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 tp -71.13 -27.85 63.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 60.5 t90 -72.74 -22.95 60.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -81.12 8.93 7.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.017 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -95.71 126.06 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -93.04 153.98 41.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.89 165.36 26.26 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.301 2.001 . . . . 0.0 112.263 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.451 ' HA ' ' NE ' ' B' ' 37' ' ' ARG . 6.2 tpm_? -89.27 109.44 20.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.628 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -82.71 139.02 33.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.977 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.965 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.613 -0.195 . . . . 0.0 112.613 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -118.4 -2.18 11.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -93.58 -2.16 54.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.6 tp -119.82 113.66 34.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.806 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -56.75 145.88 80.49 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.41 2.073 . . . . 0.0 112.278 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -68.61 -15.66 63.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -57.13 -51.72 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.315 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.22 -35.45 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.441 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.7 t -60.69 -49.73 83.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.749 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.401 HG22 HG23 ' B' ' 9' ' ' VAL . 96.4 t -62.04 -50.52 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.538 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.7 mt -56.34 -46.21 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.258 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -63.88 -38.76 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -65.01 -56.26 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.469 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -54.62 -44.87 71.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.353 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.64 -35.05 73.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.611 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.0 73.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.19 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.71 -33.83 66.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.47 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.88 -52.6 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.763 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.85 -36.64 67.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.441 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.72 -44.03 85.69 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.8 m -68.64 -37.97 80.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.787 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.9 mm -61.52 -41.52 90.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.757 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.406 ' CG2' HG23 ' B' ' 23' ' ' ILE . 44.4 mm -63.57 -44.65 98.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -72.37 -20.11 61.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.302 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -76.74 -40.5 48.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.34 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mm -62.91 -43.45 98.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 111.284 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.535 HG12 HD11 ' B' ' 27' ' ' ILE . 2.8 mp -76.39 -36.49 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.607 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.4 tp -50.09 -44.3 51.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.953 0.406 . . . . 0.0 110.397 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -79.56 -31.44 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.654 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 39.5 ttm -59.06 -52.04 67.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.964 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.3 tp -73.35 -24.05 60.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.689 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -65.69 -27.13 68.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.326 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -105.2 9.93 33.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.987 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -135.36 115.62 13.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.832 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -53.99 122.91 37.79 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.138 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.68 134.08 25.27 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.381 2.054 . . . . 0.0 112.553 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -74.27 125.55 28.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -78.69 141.0 38.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.594 -0.202 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -141.87 6.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.657 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 42.7 t -146.2 147.58 31.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.99 93.94 27.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.56 169.48 9.77 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.372 2.048 . . . . 0.0 112.158 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -65.33 -16.73 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -67.53 -26.38 66.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.778 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.5 t -72.21 -44.35 64.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.383 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.401 HG23 HG22 ' A' ' 10' ' ' VAL . 14.2 p -71.24 -31.25 43.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.355 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.1 -50.81 49.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 110.647 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.46 -37.31 79.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.621 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.0 t -67.26 -38.41 85.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.7 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.619 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -65.3 -57.5 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.501 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.0 tp -58.08 -41.05 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.288 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -69.49 -30.88 68.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 111.005 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.61 89.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.472 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.68 -31.68 67.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.436 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.4 t -66.94 -49.48 73.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.418 ' O ' HG12 ' B' ' 23' ' ' ILE . 24.5 m -62.91 -35.91 73.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.635 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.4 tp -57.87 -33.35 68.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.696 0.284 . . . . 0.0 110.732 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -74.26 -44.05 54.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.244 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.75 -36.92 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.438 ' O ' HG12 ' B' ' 27' ' ' ILE . 28.9 mm -62.68 -46.27 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.3 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.3 m -65.47 -36.94 85.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.056 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.73 -46.73 81.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.214 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.62 -40.0 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.882 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.535 HD11 HG12 ' A' ' 27' ' ' ILE . 39.7 mm -69.31 -43.5 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.219 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.51 -58.92 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 36.4 mm -56.85 -34.56 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.418 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.9 ttp -65.87 -43.63 87.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.256 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.5 tp -75.05 -23.64 58.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -71.85 -38.24 70.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -93.27 10.0 33.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.15 -39.46 68.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 22.0 ptmt -60.19 144.25 87.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 8.0 Cg_exo -72.15 128.0 13.38 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -121.06 127.92 52.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -117.25 147.5 42.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.103 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -139.92 -63.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.791 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -117.2 165.63 13.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.738 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -85.66 133.95 40.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.759 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -65.08 149.35 89.27 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.295 1.997 . . . . 0.0 112.175 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -65.59 -19.74 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -59.89 -46.79 88.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.99 -35.49 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.816 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.468 HG11 HG13 ' B' ' 9' ' ' VAL . 6.6 t -64.92 -48.38 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.308 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.1 -50.69 79.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.571 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.3 mt -56.09 -39.25 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.381 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -70.61 -38.93 74.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.29 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.85 -54.84 18.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.556 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.4 mt -55.22 -52.66 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.366 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 tp -53.78 -36.4 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -33.8 76.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.372 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.7 mt -73.08 -32.57 65.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.417 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.53 -46.58 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.917 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.41 -38.78 83.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.459 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.3 -37.81 75.8 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.3 m -73.54 -35.59 65.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.602 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.7 mm -63.84 -41.37 92.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.389 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -66.44 -42.61 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.618 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.5 t -70.28 -26.39 63.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.401 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 tp -67.63 -52.45 38.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.994 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.68 -39.79 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.601 HD11 HD11 ' B' ' 27' ' ' ILE . 50.6 mt -65.73 -41.67 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.279 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.6 tp -56.32 -51.84 66.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.038 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.2 mt -69.76 -32.99 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.8 ttm -61.36 -43.93 98.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.445 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.1 tp -79.06 -29.61 43.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.458 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -60.56 -33.95 73.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.748 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -104.88 -9.82 17.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.764 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HE2' ' HE2' ' B' ' 35' ' ' LYS . 83.3 tttt 62.05 4.15 1.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.201 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -77.74 113.09 29.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.802 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.31 159.22 53.74 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.29 1.993 . . . . 0.0 112.116 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -116.68 159.02 22.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -96.51 126.63 41.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -128.51 -67.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 0.0 110.956 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.8 p -90.0 147.55 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.791 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 72.1 mt -80.76 112.38 31.35 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.436 ' O ' HG21 ' B' ' 8' ' ' VAL . 33.9 Cg_exo -60.25 169.79 4.7 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.369 2.046 . . . . 0.0 112.36 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -71.67 -16.3 62.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.04 -48.16 79.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.604 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.436 HG21 ' O ' ' B' ' 5' ' ' PRO . 31.1 m -63.71 -35.02 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.35 . . . . 0.0 110.995 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.468 HG13 HG11 ' A' ' 9' ' ' VAL . 2.7 t -64.71 -48.76 83.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -58.04 -53.29 47.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.198 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.4 mm -59.81 -38.61 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.385 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -68.13 -38.81 82.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.05 -57.28 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.436 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tp -57.09 -41.73 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.428 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.08 -34.37 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.146 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.52 -34.37 78.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.266 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.18 -32.41 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.396 . . . . 0.0 110.636 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -69.03 -47.51 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.955 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -65.49 -30.84 51.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.173 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.94 -51.01 71.88 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.83 0.348 . . . . 0.0 110.562 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.9 m -64.41 -35.8 82.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.257 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 31.9 mm -64.05 -39.74 86.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.695 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mt -65.83 -37.06 79.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.805 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.5 m -73.59 -34.21 64.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.72 -42.9 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.397 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.38 -43.17 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.704 0.288 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.601 HD11 HD11 ' A' ' 27' ' ' ILE . 49.3 mm -66.16 -43.44 92.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.373 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.35 -54.79 42.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.407 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 54.3 mt -65.5 -31.16 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.358 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.8 ttp -66.73 -43.36 84.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 43.8 tp -79.63 -23.3 42.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -68.4 -38.14 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.929 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -92.03 -46.75 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -138.37 -175.47 4.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.825 0.345 . . . . 0.0 111.044 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.421 ' HE2' ' HE2' ' A' ' 34' ' ' LYS . 22.1 ptmt -109.17 156.26 39.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.613 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -49.63 135.3 34.11 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.527 2.151 . . . . 0.0 112.303 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -130.9 153.03 49.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -76.49 147.29 37.92 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.919 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.646 -0.182 . . . . 0.0 112.646 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -126.4 -18.53 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.975 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 m -103.14 167.33 9.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 tp -99.12 101.7 13.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.645 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.29 127.42 20.02 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.488 2.125 . . . . 0.0 112.513 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -66.98 -18.23 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.598 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -59.72 -46.23 89.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.275 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -65.46 -35.74 76.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.543 HG11 HG13 ' B' ' 9' ' ' VAL . 2.1 t -64.89 -44.08 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.2 t -66.25 -57.4 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.522 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.4 mt -53.02 -38.96 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.564 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -70.41 -42.29 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' B' ' 13' ' ' ALA . . . -62.28 -54.64 37.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.198 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.5 mm -55.32 -45.08 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.291 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.0 tp -59.04 -36.5 75.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.013 0.435 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.96 -30.78 70.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.228 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.05 -46.93 40.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.565 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 m -60.78 -39.69 82.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.545 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 23' ' ' ILE . 33.8 m -69.03 -36.14 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.944 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.7 -44.71 86.08 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.4 m -63.95 -34.95 79.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.53 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.73 -35.83 71.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.613 HG21 HG23 ' B' ' 23' ' ' ILE . 45.3 mm -63.71 -48.77 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.984 0.421 . . . . 0.0 110.554 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.7 p -73.72 -21.28 60.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.461 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.63 -47.9 71.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.35 -39.68 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.965 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.552 HD11 HD11 ' B' ' 27' ' ' ILE . 42.9 mm -73.01 -36.43 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.43 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -56.97 -46.71 82.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.58 -32.22 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.031 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.8 ttm -59.33 -50.89 72.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.2 tp -73.27 -29.89 63.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.396 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -63.89 -32.36 73.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.459 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -105.44 9.67 33.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.328 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.9 tptp 61.21 -86.45 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.409 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -58.64 127.14 81.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.701 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.5 138.19 82.38 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.395 2.063 . . . . 0.0 112.187 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -98.78 132.37 44.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.787 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -95.94 116.68 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.733 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 N-CA-C 112.67 -0.172 . . . . 0.0 112.67 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -77.93 151.72 33.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.327 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 73.7 p -114.74 -58.23 2.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.739 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -110.52 154.64 42.98 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.637 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.38 127.66 19.59 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.342 2.028 . . . . 0.0 112.231 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -70.47 -16.66 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -57.45 -51.98 67.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.26 -35.46 74.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.707 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.543 HG13 HG11 ' A' ' 9' ' ' VAL . 8.1 t -61.54 -55.54 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.785 0.326 . . . . 0.0 111.469 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 87.5 t -55.59 -49.21 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.746 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 43.8 mm -61.79 -41.04 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.244 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.4 t -66.64 -38.54 87.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.301 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . . . -68.7 -54.94 13.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.411 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.0 -41.57 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.348 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.1 tp -69.22 -37.57 78.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.351 . . . . 0.0 111.322 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.6 91.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.802 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.94 -31.56 72.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.892 0.377 . . . . 0.0 110.559 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.9 -47.46 62.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 20.1 m -65.77 -29.24 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.478 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 52.8 tp -67.41 -26.57 66.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.884 0.373 . . . . 0.0 110.366 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 86.0 m -83.55 -42.23 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.462 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.73 -42.06 91.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.587 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.613 HG23 HG21 ' A' ' 23' ' ' ILE . 18.8 tt -61.98 -38.68 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 89.1 p -73.74 -32.43 63.85 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.506 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 36.1 mt -65.6 -41.14 93.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.12 -39.72 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.578 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.552 HD11 HD11 ' A' ' 27' ' ' ILE . 47.0 mt -67.37 -44.23 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.005 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.24 -52.34 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.068 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 98.8 mt -67.13 -33.4 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.1 ttp -62.2 -42.23 99.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.426 HD13 ' HD3' ' B' ' 34' ' ' LYS . 37.7 tp -78.69 -23.86 45.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.8 t90 -69.61 -33.44 72.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -99.9 10.3 41.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.426 ' HD3' HD13 ' B' ' 31' ' ' LEU . 26.3 ttpp -58.31 117.28 4.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -113.9 136.08 22.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.609 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -58.39 134.8 63.71 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.343 2.029 . . . . 0.0 112.219 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -81.95 137.19 35.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.979 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -151.17 131.42 13.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.673 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.413 -0.803 . . . . 0.0 111.122 -179.83 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -91.87 -46.23 7.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.876 0.369 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 t -134.75 2.2 3.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 mp -86.94 136.83 33.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.629 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.29 150.52 84.64 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.326 2.017 . . . . 0.0 112.33 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -69.71 -15.4 63.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 10' ' ' VAL . 28.0 mmmt -57.14 -47.86 80.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.924 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.0 t -72.8 -42.65 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 m -66.73 -34.51 70.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 7' ' ' LYS . 9.2 p -71.44 -41.94 73.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.113 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -70.3 -34.34 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.389 . . . . 0.0 110.711 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -71.88 -38.6 69.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.692 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.587 ' HB3' ' HB2' ' B' ' 13' ' ' ALA . . . -65.27 -53.87 37.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 18' ' ' VAL . 80.8 mt -55.0 -48.33 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.88 -37.61 71.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.8 72.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.004 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.35 -31.81 64.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.408 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 14' ' ' ILE . 59.8 t -69.0 -41.4 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.8 m -73.41 -30.48 30.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.611 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.919 HD21 HD12 ' B' ' 23' ' ' ILE . 0.2 OUTLIER -58.45 -38.36 77.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.914 0.387 . . . . 0.0 110.055 179.501 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.1 m -74.94 -34.01 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.959 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.5 -46.58 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.0 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -57.92 -47.12 87.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -73.14 -23.76 60.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.536 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.01 -49.83 64.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.772 0.32 . . . . 0.0 111.15 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.1 mm -57.06 -39.6 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.434 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.551 HD11 HD13 ' B' ' 27' ' ' ILE . 25.8 mm -73.18 -36.86 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.511 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.83 -43.85 81.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.886 0.374 . . . . 0.0 110.576 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -79.45 -32.36 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.3 ttm -60.04 -49.92 75.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -75.12 -29.92 60.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -61.59 -30.41 70.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.669 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -104.56 -0.01 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 59.49 -87.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.407 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -87.47 155.72 53.89 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -68.97 147.4 67.88 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.414 2.076 . . . . 0.0 112.035 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -82.58 144.86 30.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -106.57 134.45 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.873 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.924 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 60.61 102.53 0.02 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.898 0.38 . . . . 0.0 111.101 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 87.0 p -112.52 -178.18 3.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 55.3 mt -80.65 153.47 73.25 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.431 ' O ' HG21 ' B' ' 8' ' ' VAL . 31.5 Cg_endo -63.91 164.79 20.68 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.395 2.063 . . . . 0.0 112.155 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -71.41 -16.5 62.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.997 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -58.23 -52.89 63.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.393 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.431 HG21 ' O ' ' B' ' 5' ' ' PRO . 30.7 m -59.36 -35.54 58.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.425 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t -63.74 -49.52 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.401 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.37 -47.89 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.77 -35.62 68.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.233 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.5 t -68.08 -38.71 82.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.02 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . . . -68.92 -51.79 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.666 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 tp -62.1 -39.88 85.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.55 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -69.09 -42.33 76.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.22 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.51 89.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.567 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.41 -36.78 81.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.929 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.433 ' O ' HG12 ' B' ' 22' ' ' ILE . 98.5 t -68.42 -40.11 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.747 HG11 HD22 ' A' ' 20' ' ' LEU . 72.4 t -67.45 -39.92 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.471 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.61 -31.94 66.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.736 0.303 . . . . 0.0 110.738 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 59.7 m -78.52 -32.3 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.509 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.433 HG12 ' O ' ' B' ' 18' ' ' VAL . 46.8 mm -69.95 -46.78 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.919 HD12 HD21 ' A' ' 20' ' ' LEU . 30.3 pt -64.02 -32.71 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 94.0 p -72.43 -39.03 68.17 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.2 -39.25 92.59 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.709 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.71 -40.77 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.073 0.463 . . . . 0.0 110.577 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.551 HD13 HD11 ' A' ' 27' ' ' ILE . 53.1 mt -66.92 -46.1 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.951 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.5 tp -55.51 -56.44 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.999 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -62.88 -31.08 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.195 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 30.2 ttm -64.78 -44.64 89.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 49.4 tp -78.86 -23.72 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -69.52 -35.06 75.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.721 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -95.36 7.59 45.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -95.64 -54.92 3.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.915 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -109.12 112.17 59.92 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.74 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.57 168.43 19.87 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.494 2.129 . . . . 0.0 112.251 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -99.23 153.5 18.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -100.49 147.26 26.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.047 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.82 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -89.97 -58.25 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 0.0 110.552 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 m -77.89 142.15 38.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.805 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 10.5 mp -106.12 141.46 22.79 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.771 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 22.1 Cg_exo -64.94 154.76 71.59 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.435 2.09 . . . . 0.0 112.099 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.401 ' O ' HG21 ' A' ' 10' ' ' VAL . 43.4 p90 -71.22 -17.15 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -57.98 -53.65 55.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.227 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -58.07 -35.06 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.585 HG11 HG12 ' B' ' 9' ' ' VAL . 2.8 t -64.99 -44.24 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 6' ' ' PHE . 67.2 t -66.64 -48.03 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.534 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.2 mm -58.07 -38.82 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.217 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.6 m -72.03 -39.8 68.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.208 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.86 -57.44 8.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.446 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 18' ' ' VAL . 86.6 mt -54.61 -46.55 72.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.83 -38.08 69.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.704 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.22 -33.58 76.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.042 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.19 -34.19 70.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.658 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 14' ' ' ILE . 47.0 t -67.04 -47.91 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 m -66.73 -31.06 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.417 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.888 HD22 HG13 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -57.99 -40.6 81.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.993 0.425 . . . . 0.0 110.226 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -73.72 -37.37 65.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.792 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.2 mt -64.77 -37.54 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.502 HG13 HD11 ' B' ' 20' ' ' LEU . 29.1 mm -66.81 -45.84 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.022 0.439 . . . . 0.0 110.457 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -73.43 -18.47 61.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.231 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.6 tp -75.43 -49.0 20.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.221 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.26 -41.68 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.458 ' HB ' HD12 ' B' ' 27' ' ' ILE . 10.2 tp -73.41 -36.26 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.184 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 tp -57.09 -50.23 73.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.938 0.399 . . . . 0.0 110.399 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mm -70.14 -34.57 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.751 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 44.0 ttm -60.71 -42.54 97.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.755 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.7 tp -79.29 -30.29 42.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.601 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -59.58 -35.03 73.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.579 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -105.31 -11.91 16.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.633 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp 62.63 18.57 10.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -111.83 153.32 44.47 Favored Pre-proline 0 C--O 1.233 0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.786 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -72.16 126.52 11.83 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.429 2.086 . . . . 0.0 112.654 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -131.58 140.6 49.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.0 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -134.81 144.46 47.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.936 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.747 179.749 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.581 -0.208 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -85.03 -4.28 59.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.723 0.297 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -93.03 144.26 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.74 147.6 84.08 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.54 142.67 99.26 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.467 2.111 . . . . 0.0 112.302 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -63.41 -21.98 66.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.63 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -58.01 -33.69 69.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 t -68.6 -36.06 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.585 HG12 HG11 ' A' ' 9' ' ' VAL . 6.5 t -69.67 -40.04 78.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.563 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.25 -56.39 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.77 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 13.5 pt -60.89 -38.97 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.615 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -66.18 -38.11 87.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.13 -56.17 12.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.428 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.3 tp -60.51 -40.66 85.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.132 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 tp -66.29 -36.72 83.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.812 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.56 96.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.178 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.38 -39.62 93.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.551 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.5 t -63.36 -35.58 72.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.164 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.888 HG13 HD22 ' A' ' 20' ' ' LEU . 76.4 t -70.62 -42.83 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.056 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.502 HD11 HG13 ' A' ' 23' ' ' ILE . 52.3 tp -57.72 -33.88 68.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.688 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 68.3 m -72.93 -42.17 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.211 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.401 ' O ' HG13 ' B' ' 26' ' ' ILE . 38.8 mm -61.42 -42.92 95.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.517 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.483 HG23 HG23 ' A' ' 23' ' ' ILE . 32.0 mm -61.74 -38.85 81.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.759 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.0 t -70.14 -35.64 74.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.428 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.48 -43.56 72.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.401 HG13 ' O ' ' B' ' 22' ' ' ILE . 96.3 mt -58.19 -43.29 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.458 HD12 ' HB ' ' A' ' 27' ' ' ILE . 87.2 mt -69.89 -38.26 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.63 -56.67 18.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.254 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 75.5 mt -64.32 -36.85 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.574 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.1 ttp -59.37 -39.05 82.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 tp -81.68 -23.88 36.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.652 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -67.97 -39.15 83.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.174 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -93.14 -17.87 23.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.138 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 tttt 62.1 -84.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.067 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -73.16 130.34 84.8 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.667 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.79 146.7 91.76 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.485 2.123 . . . . 0.0 112.296 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -69.35 162.19 27.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -101.69 130.03 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.828 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -125.66 -21.79 4.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 m -88.64 6.39 38.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.7 mt -82.54 118.92 73.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.56 138.9 61.61 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.368 2.046 . . . . 0.0 112.323 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -67.45 -17.05 64.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.82 -44.9 93.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.069 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.25 -36.0 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.294 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.413 HG11 HG13 ' B' ' 9' ' ' VAL . 2.3 t -64.12 -45.77 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.042 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.3 t -65.91 -55.53 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.449 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.2 mt -54.85 -37.72 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.369 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -70.46 -43.25 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -56.08 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -55.07 -41.87 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' HG21 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -56.52 -52.65 63.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.438 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.92 -32.97 70.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.304 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.22 -41.01 99.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.686 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.04 -34.19 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.802 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 15' ' ' LEU . 60.0 t -68.67 -37.58 77.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.521 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.406 ' O ' HG22 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -65.66 -32.61 74.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -74.94 -35.23 62.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.09 -43.3 51.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.994 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.679 HG21 HG21 ' B' ' 23' ' ' ILE . 9.0 tp -63.37 -38.97 83.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -73.99 -29.88 62.19 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.6 -39.02 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mm -62.19 -39.69 84.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.439 HD12 HD13 ' B' ' 27' ' ' ILE . 32.8 mt -71.44 -38.73 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.117 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.54 -46.2 89.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mm -75.23 -32.81 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.272 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.5 ttm -65.47 -43.85 89.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.203 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -78.32 -34.55 48.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.628 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -60.3 -32.35 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.628 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -104.04 7.72 36.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -79.28 -39.46 32.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.73 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -73.34 146.26 86.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.735 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -75.22 154.5 41.5 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.319 2.012 . . . . 0.0 112.293 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.12 120.58 31.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -77.99 135.65 37.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.883 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -63.12 111.38 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.351 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -156.23 -39.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -64.06 150.82 91.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.767 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.4 152.53 66.74 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.46 2.106 . . . . 0.0 112.297 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -69.8 -20.16 63.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -58.7 -35.65 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.779 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.38 -35.76 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.052 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.413 HG13 HG11 ' A' ' 9' ' ' VAL . 3.5 t -68.29 -49.54 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.51 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.25 -55.68 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.88 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.62 -40.09 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.483 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.0 t -66.62 -38.25 86.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.218 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.43 -57.37 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.791 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 19.0 tt -59.94 -42.67 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.683 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 64.2 tp -63.25 -34.23 77.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.79 0.328 . . . . 0.0 110.811 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.0 82.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.354 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.93 -37.04 67.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.577 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -65.46 -43.23 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.401 ' O ' HG12 ' B' ' 23' ' ' ILE . 33.7 m -72.39 -32.04 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.394 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -57.51 -42.95 83.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.891 0.377 . . . . 0.0 110.326 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 61.7 m -66.91 -34.03 76.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.097 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.407 ' O ' HG13 ' B' ' 26' ' ' ILE . 43.9 mm -65.4 -46.2 90.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.595 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.679 HG21 HG21 ' A' ' 23' ' ' ILE . 49.3 mm -58.58 -36.7 60.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.7 m -71.12 -42.27 69.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.384 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.31 -35.86 80.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.219 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 22' ' ' ILE . 91.5 mt -62.54 -40.39 88.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.715 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.439 HD13 HD12 ' A' ' 27' ' ' ILE . 28.2 mt -70.72 -41.16 77.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.06 -55.66 30.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.244 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.5 mt -66.52 -37.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.419 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.4 ttp -57.2 -45.78 83.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.27 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 28.3 tp -79.79 -25.85 40.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -64.62 -34.89 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.724 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -99.55 2.72 45.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.555 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 55.82 -165.7 0.12 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.981 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -59.39 149.35 69.72 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.45 132.99 30.84 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.542 2.162 . . . . 0.0 112.429 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -85.09 138.74 32.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -99.39 139.98 34.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.257 1.486 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.065 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.62 -0.192 . . . . 0.0 112.62 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -128.59 3.46 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.814 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 m -94.31 15.2 18.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.782 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.6 mt -85.41 150.26 53.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.23 166.26 6.08 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.52 2.147 . . . . 0.0 112.307 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.483 ' O ' HG11 ' A' ' 9' ' ' VAL . 52.0 p90 -67.4 -15.78 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -57.06 -43.92 82.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.5 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.5 t -72.19 -42.59 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 6' ' ' PHE . 9.1 p -66.18 -34.62 71.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.3 t -71.4 -53.79 19.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.718 0.294 . . . . 0.0 111.022 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -57.21 -39.28 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.961 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -67.06 -38.96 86.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.878 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' B' ' 13' ' ' ALA . . . -64.57 -54.14 36.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -55.44 -45.92 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.174 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.9 tp -58.47 -37.99 76.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.92 -31.94 73.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.79 -37.2 65.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.19 -40.98 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.347 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.8 p -71.48 -29.34 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.531 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD1' HG13 ' B' ' 23' ' ' ILE . 46.5 tp -69.53 -25.74 64.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 110.715 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.9 m -83.24 -35.51 25.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.528 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.6 mt -72.77 -40.13 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.517 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.676 HG21 HG21 ' B' ' 23' ' ' ILE . 7.9 tp -64.55 -39.15 84.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.418 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.2 t -74.61 -31.31 61.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.974 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.94 -44.07 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.123 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.8 -39.67 84.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.519 HD12 HD13 ' B' ' 27' ' ' ILE . 59.3 mt -68.33 -38.59 79.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.254 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.49 -50.7 72.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.2 mm -70.58 -37.37 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.237 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.9 ttm -60.2 -51.46 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.826 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.5 tp -70.47 -26.82 63.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -64.93 -26.89 68.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -101.33 10.43 40.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.546 ' HZ2' ' HE3' ' B' ' 34' ' ' LYS . 30.7 mmtp -119.96 -68.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.773 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -76.04 121.92 85.92 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -64.45 150.55 88.05 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.313 2.009 . . . . 0.0 112.117 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -97.94 112.32 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.769 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -89.0 118.66 28.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.994 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.467 0.392 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.747 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -85.89 -33.59 21.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.807 0.337 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -143.31 104.45 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.751 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 79.0 mt -111.6 146.62 35.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.036 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.421 ' O ' HG23 ' B' ' 8' ' ' VAL . 25.2 Cg_exo -63.23 128.38 22.56 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.561 2.174 . . . . 0.0 112.263 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -72.19 -16.99 61.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.046 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -59.04 -47.66 84.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.861 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 5' ' ' PRO . 18.7 m -62.42 -35.24 68.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.663 0.268 . . . . 0.0 111.33 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.79 -49.52 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.687 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.435 HG22 HG21 ' A' ' 9' ' ' VAL . 53.5 t -60.81 -48.85 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.526 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.3 -34.93 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.395 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -70.94 -38.84 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.143 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . . . -65.7 -53.2 44.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.587 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.08 -39.02 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.429 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.9 tp -69.46 -31.73 70.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.014 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.24 82.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.494 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -73.21 -36.63 66.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.797 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.24 -42.51 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.424 ' O ' HG12 ' B' ' 23' ' ' ILE . 32.9 m -74.31 -34.71 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.409 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.46 -43.93 84.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.71 0.291 . . . . 0.0 110.512 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -66.37 -32.8 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 0.0 110.102 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.404 ' O ' HG13 ' B' ' 26' ' ' ILE . 96.6 mt -70.46 -34.81 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.376 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.676 HG21 HG21 ' A' ' 23' ' ' ILE . 38.0 mm -64.07 -41.22 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.408 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 81.6 p -72.06 -38.39 69.47 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.49 -34.78 74.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.652 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.404 HG13 ' O ' ' B' ' 22' ' ' ILE . 96.7 mt -65.31 -40.67 89.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.76 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.519 HD13 HD12 ' A' ' 27' ' ' ILE . 38.4 mt -69.42 -42.5 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -55.92 -57.58 11.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.205 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.94 -30.66 51.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 36.6 ttm -61.39 -52.1 66.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.453 ' HA ' ' HB3' ' B' ' 34' ' ' LYS . 50.3 tp -74.01 -24.41 59.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.098 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -63.94 -35.51 80.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -104.25 7.35 35.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.546 ' HE3' ' HZ2' ' A' ' 34' ' ' LYS . 60.3 tttm -98.99 -19.39 17.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.691 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -87.64 119.27 70.6 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.11 158.98 54.25 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.401 2.068 . . . . 0.0 112.372 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -118.51 144.64 45.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.801 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -129.02 145.68 51.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.137 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.849 179.841 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -101.26 -25.88 13.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.628 0.252 . . . . 0.0 110.99 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m 63.13 -82.2 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.354 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.2 tp -99.75 109.1 54.46 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.03 158.96 51.62 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.277 1.985 . . . . 0.0 112.183 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -71.1 -16.35 62.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -57.74 -53.21 60.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.374 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.93 -35.65 69.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.212 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.586 HG11 HG13 ' B' ' 9' ' ' VAL . 2.5 t -64.6 -45.73 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.339 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.79 -52.77 41.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.467 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -55.34 -38.72 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.437 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.5 t -70.26 -39.71 74.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.857 0.36 . . . . 0.0 111.105 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.37 -55.9 15.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.234 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.2 mt -55.35 -44.05 73.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.15 -39.56 79.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.05 -34.76 66.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.447 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.67 -45.68 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' O ' HG12 ' A' ' 23' ' ' ILE . 33.7 m -66.6 -35.03 73.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.365 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.726 HD22 HG11 ' B' ' 19' ' ' VAL . 1.3 tm? -57.95 -44.71 87.15 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.784 0.326 . . . . 0.0 110.241 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.8 m -66.28 -32.47 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.391 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.23 -34.07 53.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.51 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.515 HG21 HG22 ' B' ' 23' ' ' ILE . 34.7 mm -63.8 -49.44 81.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.675 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.0 p -73.54 -23.4 59.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.838 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.7 -51.49 58.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.636 0.255 . . . . 0.0 111.33 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -59.16 -41.05 82.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.084 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.568 HG13 HD11 ' B' ' 27' ' ' ILE . 33.5 mm -70.55 -35.89 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.29 -44.88 92.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -76.41 -40.85 35.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.382 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.5 ttp -59.5 -43.34 93.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.965 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -74.77 -27.09 60.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.329 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -70.46 -26.23 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.759 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -105.49 10.06 33.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HG2' ' HD2' ' A' ' 35' ' ' LYS . 39.0 ttmt -120.39 -66.86 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.773 0.321 . . . . 0.0 110.813 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.485 ' HD2' ' HG2' ' A' ' 34' ' ' LYS . 4.7 mptp? -99.09 134.33 21.46 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.592 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -61.39 145.29 98.32 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.337 2.025 . . . . 0.0 112.295 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -104.73 139.3 39.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -116.28 139.76 50.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.964 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.338 -0.305 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -108.98 -61.99 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.709 0.29 . . . . 0.0 110.71 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -121.68 127.54 50.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.797 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -116.46 147.03 38.79 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.99 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.454 ' O ' HG21 ' B' ' 8' ' ' VAL . 51.9 Cg_exo -55.28 126.17 21.61 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.551 2.167 . . . . 0.0 112.348 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -71.74 -17.51 62.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.782 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -58.24 -51.89 67.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.265 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.454 HG21 ' O ' ' B' ' 5' ' ' PRO . 33.7 m -61.93 -35.58 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.358 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.586 HG13 HG11 ' A' ' 9' ' ' VAL . 5.5 t -63.07 -51.97 64.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.252 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.1 -50.46 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.581 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.54 -33.53 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.17 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 44.8 t -71.53 -38.63 71.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.058 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.19 -53.88 15.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.479 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.6 tp -57.43 -41.83 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.405 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.2 tp -68.9 -34.48 75.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.93 99.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.69 -38.78 86.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.644 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.529 ' O ' HD13 ' B' ' 22' ' ' ILE . 47.9 t -67.48 -34.98 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.558 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.726 HG11 HD22 ' A' ' 20' ' ' LEU . 62.4 t -70.95 -34.59 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.433 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 23' ' ' ILE . 0.4 OUTLIER -67.18 -32.26 73.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.85 0.357 . . . . 0.0 110.627 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 40.5 m -76.5 -43.79 38.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.696 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.529 HD13 ' O ' ' B' ' 18' ' ' VAL . 1.7 mp -68.33 -41.56 83.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.008 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.515 HG22 HG21 ' A' ' 23' ' ' ILE . 17.0 tt -61.56 -37.54 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 84.5 p -74.08 -34.9 64.17 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.866 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.4 -44.93 93.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -54.44 -39.71 46.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.634 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.568 HD11 HG13 ' A' ' 27' ' ' ILE . 36.2 mt -69.58 -40.03 79.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.709 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.32 -58.16 9.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.102 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.29 -36.4 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 34.4 ttm -56.18 -46.9 79.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.982 0.42 . . . . 0.0 110.775 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -76.58 -23.78 53.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.937 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -68.52 -32.72 72.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -104.53 7.66 35.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.454 ' NZ ' ' HZ2' ' A' ' 34' ' ' LYS . 41.7 ttmt -88.55 -55.53 3.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.708 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -88.32 152.95 50.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.736 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.99 141.31 57.1 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.403 2.069 . . . . 0.0 112.23 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -90.35 133.22 35.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -119.61 145.54 46.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.381 -0.819 . . . . 0.0 110.913 179.839 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.119 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 65.9 m80 58.68 17.42 5.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.743 0.306 . . . . 0.0 111.351 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 t -95.66 -58.89 1.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.093 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -82.96 132.64 50.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.4 135.05 67.38 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.397 2.064 . . . . 0.0 112.17 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -64.5 -15.72 61.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -57.1 -50.83 71.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.122 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -70.78 -35.73 61.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.282 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.517 HG11 HG13 ' B' ' 9' ' ' VAL . 4.3 t -58.89 -50.67 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.409 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.99 -58.71 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.592 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.4 mt -49.87 -38.83 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -71.7 -38.6 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.77 -57.31 10.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.894 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.4 pt -61.81 -38.45 80.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.37 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 tp -56.19 -54.91 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.676 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.12 -31.31 69.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.033 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.61 -36.58 82.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.544 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 14' ' ' ILE . 97.4 t -68.75 -39.81 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.268 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.419 HG12 HD22 ' B' ' 20' ' ' LEU . 58.9 t -63.05 -38.14 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.4 -38.15 73.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.223 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -71.59 -35.75 70.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.555 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mm -66.38 -38.9 82.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.714 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.596 HG21 HG22 ' B' ' 23' ' ' ILE . 42.3 mm -65.45 -45.39 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.767 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.9 t -73.31 -21.63 60.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.701 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -68.89 -49.95 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.741 0.305 . . . . 0.0 111.075 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -59.3 -39.65 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.595 HD11 HD11 ' B' ' 27' ' ' ILE . 41.8 mm -72.44 -36.72 55.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.52 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.43 -42.2 91.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.5 mm -79.08 -40.92 22.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.58 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 ttp -60.53 -38.78 85.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.725 0.297 . . . . 0.0 110.901 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.5 tp -77.9 -33.18 52.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.057 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.3 t90 -64.62 -29.83 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.664 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -101.43 5.82 42.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.771 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HZ3' ' HD3' ' A' ' 35' ' ' LYS . 59.8 tttm 58.23 -85.88 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.432 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 3.1 mmmp? -64.74 137.23 97.08 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.76 140.94 76.64 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.553 2.169 . . . . 0.0 112.032 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -117.87 145.89 44.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -85.56 122.56 29.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.829 179.918 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.569 -0.213 . . . . 0.0 112.569 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -152.68 -7.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.763 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -136.01 -19.81 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.605 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.79 136.64 92.48 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.702 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.52 156.45 66.07 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.253 1.969 . . . . 0.0 112.294 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -71.3 -16.39 62.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -58.01 -40.62 81.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.45 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.55 -35.14 73.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.81 0.338 . . . . 0.0 111.223 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.517 HG13 HG11 ' A' ' 9' ' ' VAL . 2.5 t -65.97 -48.65 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.214 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.39 -47.65 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.395 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.8 mt -66.38 -36.42 77.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.419 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -68.92 -38.73 79.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 111.115 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.38 -52.71 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.258 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.5 tp -59.99 -37.31 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.28 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.38 -36.56 76.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.232 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.96 79.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.275 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.64 -31.67 68.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 110.39 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.1 t -70.86 -42.37 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.11 -24.95 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.48 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.419 HD22 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -68.35 -26.92 65.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.975 0.417 . . . . 0.0 110.178 179.589 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 86.3 m -83.89 -42.35 16.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.585 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 66.1 mt -68.58 -38.07 78.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.596 HG22 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -63.15 -35.62 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.295 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.0 m -74.08 -44.18 54.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.956 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -55.18 -45.36 75.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.64 -40.34 50.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.608 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.595 HD11 HD11 ' A' ' 27' ' ' ILE . 46.0 mt -67.21 -47.35 81.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.78 -56.17 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.443 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.01 -34.56 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.341 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.4 ttp -60.68 -46.82 88.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 110.552 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 31.2 tp -75.46 -25.18 57.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.42 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -65.95 -33.54 76.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.778 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -104.68 6.72 34.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -77.5 -65.85 0.91 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -96.99 122.13 57.3 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.934 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.91 159.68 52.87 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.338 2.026 . . . . 0.0 112.266 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -101.39 117.31 34.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -83.35 129.25 34.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.77 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.888 -179.923 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 62.7 m80 59.51 11.22 2.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.488 0.185 . . . . 0.0 111.358 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t 59.34 99.03 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.051 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -116.26 151.57 46.93 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.43 165.89 8.62 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.559 2.173 . . . . 0.0 112.236 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -70.97 -16.94 62.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' O ' HG12 ' A' ' 11' ' ' ILE . 33.9 ttmt -63.07 -42.97 99.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.762 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.2 t -72.42 -39.55 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.4 p -68.67 -32.31 54.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -71.09 -47.79 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.641 0.258 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 7' ' ' LYS . 37.5 mm -58.94 -41.55 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -69.36 -40.66 77.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB3' ' HB2' ' B' ' 13' ' ' ALA . . . -61.39 -53.93 50.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.1 mt -56.31 -49.1 78.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.357 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 tp -55.39 -40.3 71.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.54 -43.11 84.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.24 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.41 -33.5 75.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.5 t -68.87 -36.01 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.723 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.507 HG12 HD22 ' B' ' 20' ' ' LEU . 65.0 t -69.83 -44.01 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.188 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.777 HD21 HG11 ' B' ' 19' ' ' VAL . 1.7 tm? -57.29 -39.7 76.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.235 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.0 m -66.21 -33.92 76.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.581 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.3 mm -72.8 -38.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.775 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.64 HG21 HG22 ' B' ' 23' ' ' ILE . 49.2 mm -62.72 -47.55 92.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.987 0.422 . . . . 0.0 110.928 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.0 t -73.07 -22.42 60.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.472 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.6 tp -70.11 -45.68 66.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.6 mm -62.45 -41.17 90.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.343 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.598 HD11 HD11 ' B' ' 27' ' ' ILE . 46.1 mm -73.55 -36.51 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.624 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.7 tp -54.13 -50.93 65.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.998 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.93 -34.73 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.8 ttm -56.34 -45.41 80.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.686 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -78.87 -25.94 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.63 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -63.55 -32.17 73.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.674 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -105.27 9.63 33.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.942 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -90.22 -30.17 17.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -77.72 113.54 33.3 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.796 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -77.23 144.61 23.5 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.414 2.076 . . . . 0.0 112.385 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -77.61 152.3 33.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -153.93 153.08 31.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.217 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.794 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.207 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -95.13 -42.3 8.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.896 0.379 . . . . 0.0 110.78 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -150.27 110.1 4.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 85.0 mt -97.31 149.69 35.99 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.716 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.03 147.61 63.03 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.449 2.099 . . . . 0.0 112.23 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -69.43 -18.88 63.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.715 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -64.06 -40.42 96.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.9 t -62.85 -35.53 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 37.2 t -71.12 -45.21 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.353 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.67 -49.42 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.463 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 37.0 mm -63.46 -35.77 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.195 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.0 t -69.64 -38.53 77.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.423 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . . . -67.3 -56.07 11.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.495 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.1 tp -57.35 -42.46 80.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.574 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 tp -69.4 -35.6 75.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.028 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.07 88.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.36 -38.52 91.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.023 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -64.26 -38.39 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.623 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.777 HG11 HD21 ' A' ' 20' ' ' LEU . 84.4 t -72.74 -32.21 39.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.51 HD21 HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -65.33 -31.36 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.691 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 63.0 m -78.37 -45.28 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.152 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.29 -43.14 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.64 HG22 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -59.35 -38.39 74.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.67 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 95.1 p -73.99 -35.25 64.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.942 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.2 mt -62.93 -42.49 99.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.1 -39.67 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.444 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.598 HD11 HD11 ' A' ' 27' ' ' ILE . 21.6 mt -68.17 -41.83 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.862 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.3 -56.6 20.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.344 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.23 -32.53 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.511 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 59.5 ttp -62.08 -45.79 91.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 29.7 tp -78.38 -23.84 46.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.746 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -64.4 -35.23 80.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.209 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -93.69 10.59 32.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.241 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -122.74 169.74 10.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.889 0.376 . . . . 0.0 110.935 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -66.92 150.46 97.81 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.009 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.91 166.73 29.21 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.468 2.112 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -95.74 119.56 34.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -87.94 147.12 25.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.593 -0.718 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 57.03 -175.79 0.06 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.856 0.36 . . . . 0.0 111.106 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -163.03 -1.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.6 142.19 30.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -56.26 152.92 36.08 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.44 2.093 . . . . 0.0 112.3 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -69.98 -16.42 63.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -57.95 -51.77 68.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.098 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.1 -35.62 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.207 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.542 HG11 HG13 ' B' ' 9' ' ' VAL . 2.7 t -64.03 -50.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.07 -56.1 19.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.558 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.3 mt -52.84 -36.49 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.426 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -71.65 -40.42 69.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.153 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.16 -56.36 11.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.375 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.22 -46.63 77.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.155 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.8 tp -54.77 -50.83 67.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.832 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.95 -32.83 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.2 tp -67.41 -35.27 78.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.356 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.83 -30.89 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.38 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.0 t -71.6 -31.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.411 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -29.09 66.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.908 0.385 . . . . 0.0 110.314 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.1 m -78.96 -36.98 40.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.683 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -74.21 -41.35 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.962 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.661 HG21 HG21 ' B' ' 23' ' ' ILE . 6.8 tp -61.8 -43.07 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.666 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.8 p -75.15 -29.36 60.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.32 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.8 -52.08 66.59 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.252 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -54.55 -39.46 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.631 HD11 HD12 ' B' ' 27' ' ' ILE . 38.6 mm -72.34 -36.2 54.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.487 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.67 -43.98 93.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.738 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.29 -34.45 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.4 ttm -60.89 -43.9 97.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.743 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.5 tp -77.24 -32.78 56.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.645 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.6 t90 -63.92 -26.46 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.802 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -105.11 6.88 33.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -129.17 -172.18 2.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 111.082 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -53.68 112.88 4.16 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.208 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -62.25 145.0 96.2 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.378 2.052 . . . . 0.0 112.182 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -66.01 142.23 57.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -116.55 154.92 29.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.757 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.218 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -77.11 145.79 37.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.786 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 79.3 p -100.77 112.15 24.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt -73.32 146.32 86.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.4 ' O ' HG21 ' B' ' 8' ' ' VAL . 34.4 Cg_endo -64.77 169.7 11.18 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.317 2.011 . . . . 0.0 112.026 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -71.6 -16.96 62.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -58.54 -51.28 70.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.446 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.4 HG21 ' O ' ' B' ' 5' ' ' PRO . 28.0 m -62.74 -35.46 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.63 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.542 HG13 HG11 ' A' ' 9' ' ' VAL . 3.3 t -60.7 -49.54 84.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 111.262 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.99 -48.19 87.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.391 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.9 mt -59.96 -35.65 62.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.285 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.5 t -71.83 -38.67 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.053 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.44 -54.64 21.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.41 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.28 -38.84 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.649 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 tp -69.4 -40.65 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.17 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.74 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.365 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -71.51 -39.05 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.753 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.2 t -64.63 -49.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.002 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.426 ' O ' HG12 ' B' ' 23' ' ' ILE . 33.5 m -64.46 -37.78 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.317 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.1 tp -57.4 -38.26 74.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.824 0.345 . . . . 0.0 110.414 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -71.79 -34.71 69.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 72.7 mt -67.83 -38.69 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.661 HG21 HG21 ' A' ' 23' ' ' ILE . 36.1 mm -60.15 -42.53 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.926 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.3 m -66.26 -39.5 89.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.16 -40.62 96.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.12 -41.16 90.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.631 HD12 HD11 ' A' ' 27' ' ' ILE . 31.2 mt -69.92 -39.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.089 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.1 -55.69 30.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.464 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.43 -37.23 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.399 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.2 ttp -58.7 -45.55 89.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.056 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.5 tp -79.21 -23.7 43.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -66.17 -36.39 82.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -92.42 10.31 30.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.064 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -132.66 113.08 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.96 118.02 63.21 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.05 151.32 16.69 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.553 2.168 . . . . 0.0 112.444 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -106.57 149.43 27.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.006 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -122.66 119.14 29.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--O 1.257 1.477 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.171 179.821 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.783 0.243 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 10' ' ' VAL . 44.9 p90 -62.25 -15.07 44.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.776 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -56.6 -52.16 65.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.3 t -71.95 -35.63 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.607 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' B' ' 9' ' ' VAL . 4.7 t -59.76 -51.21 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 0.0 111.529 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 6' ' ' PHE . 98.0 t -60.54 -58.44 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.686 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.1 mt -51.17 -37.1 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.615 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -72.05 -42.34 66.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.34 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.93 -52.54 55.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.411 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 18' ' ' VAL . 41.8 mm -54.68 -51.81 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.1 tp -55.6 -49.96 71.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.42 -32.04 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 tp -73.35 -31.61 64.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 14' ' ' ILE . 94.1 t -72.45 -44.07 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.486 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 m -64.16 -29.03 46.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.77 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -64.96 -35.63 81.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.023 0.439 . . . . 0.0 109.892 179.606 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.9 m -74.84 -34.17 62.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.341 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.3 mm -67.79 -50.7 57.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.567 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.605 HG23 HG21 ' B' ' 23' ' ' ILE . 19.0 tt -60.88 -33.82 56.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.9 t -73.67 -35.37 65.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.92 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.9 tp -59.12 -41.55 88.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.2 -40.37 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.044 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.549 HD11 HD11 ' B' ' 27' ' ' ILE . 41.7 mt -68.27 -38.95 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.217 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.5 tp -57.76 -54.77 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.164 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -68.42 -37.86 78.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.299 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.2 ttm -56.74 -52.07 66.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp -74.03 -23.78 59.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.648 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -64.81 -24.36 67.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.644 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.864 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -61.51 -46.34 90.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.779 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 m -59.88 -35.11 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.662 0.268 . . . . 0.0 111.295 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' A' ' 9' ' ' VAL . 2.5 t -64.04 -51.8 64.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -58.62 -52.06 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.371 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.94 -38.85 75.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.376 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -68.35 -38.73 81.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.57 -57.04 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.38 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.45 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.7 tp -57.02 -39.48 66.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.323 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.7 tp -68.81 -34.22 75.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.21 84.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.363 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.39 -33.83 71.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.716 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 14' ' ' ILE . 81.1 t -69.33 -45.47 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.483 ' O ' HG12 ' B' ' 23' ' ' ILE . 35.8 m -70.08 -32.87 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.466 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 62.7 tp -57.57 -43.69 84.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.67 0.272 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.414 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 88.2 m -66.84 -38.1 85.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.318 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.5 -42.02 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.775 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.605 HG21 HG23 ' A' ' 23' ' ' ILE . 47.4 mm -59.82 -38.57 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.963 0.411 . . . . 0.0 110.358 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -72.65 -35.36 67.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.278 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 21' ' ' THR . 91.4 mt -65.77 -33.65 76.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.39 -40.81 87.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.549 HD11 HD11 ' A' ' 27' ' ' ILE . 8.1 mt -68.13 -40.78 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.89 -54.35 48.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.29 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.75 -36.67 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.448 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.9 ttp -60.12 -44.92 94.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 46.9 tp -77.43 -23.86 50.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.626 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -68.31 -32.09 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 179.881 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.908 0.295 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 10' ' ' VAL . 40.4 p90 -63.23 -15.24 56.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -56.89 -53.44 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.43 -35.75 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.523 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.616 HG11 HG22 ' B' ' 10' ' ' VAL . 42.4 t -59.66 -49.58 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.77 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.606 HG22 HG21 ' B' ' 9' ' ' VAL . 90.0 t -64.02 -52.49 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.638 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.14 -36.41 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.303 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -72.16 -39.83 68.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.012 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.56 -54.2 39.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.19 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 18' ' ' VAL . 77.2 mt -55.83 -49.12 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.166 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.3 tp -54.79 -49.2 71.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.28 -30.71 71.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.006 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 tp -73.07 -32.02 64.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.676 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 14' ' ' ILE . 90.7 t -72.47 -48.61 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.121 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 23' ' ' ILE . 7.1 p -60.27 -34.11 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.553 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.2 tm? -57.67 -43.45 85.03 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.9 m -68.21 -32.32 72.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.422 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mm -67.91 -39.16 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.742 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.438 HG13 HD11 ' B' ' 20' ' ' LEU . 47.6 mm -64.76 -48.99 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.1 p -69.43 -23.55 63.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.307 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -66.39 -47.82 72.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.383 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.4 mm -61.41 -39.72 83.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 23' ' ' ILE . 35.7 mm -70.28 -36.61 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.302 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 tp -56.98 -50.48 72.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.319 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.449 HD12 ' N ' ' A' ' 29' ' ' ILE . 2.2 mp -73.79 -39.01 51.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.246 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.8 ttp -57.89 -42.13 84.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 110.735 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.9 tp -79.66 -24.96 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.028 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -66.02 -26.72 67.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.545 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.753 179.881 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.532 ' O ' HG23 ' B' ' 10' ' ' VAL . 1.9 p90 . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 120.84 0.352 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -66.43 -40.74 89.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.92 -35.82 55.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.606 HG21 HG22 ' A' ' 10' ' ' VAL . 10.8 p -69.32 -36.79 73.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.616 HG22 HG11 ' A' ' 9' ' ' VAL . 98.9 t -67.44 -42.59 87.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.84 0.352 . . . . 0.0 110.693 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 89.6 mt -66.69 -36.43 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 72.7 m -69.29 -38.96 78.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.783 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -65.77 -54.24 29.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.457 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.419 HG23 ' N ' ' B' ' 15' ' ' LEU . 9.5 tp -59.37 -42.47 87.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.16 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.419 ' N ' HG23 ' B' ' 14' ' ' ILE . 60.6 tp -69.52 -27.59 65.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.048 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.95 -35.14 66.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.835 0.35 . . . . 0.0 110.577 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.94 -41.3 91.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.006 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.484 ' O ' HG12 ' B' ' 23' ' ' ILE . 26.3 m -75.62 -38.68 38.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.3 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 23' ' ' ILE . 42.0 tp -59.11 -29.87 67.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.76 0.314 . . . . 0.0 110.619 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -78.31 -40.42 36.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.493 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 98.1 mt -68.3 -37.57 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.484 HG12 ' O ' ' B' ' 19' ' ' VAL . 31.0 mm -58.89 -42.92 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 79.0 p -73.09 -34.56 66.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.309 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.53 -40.27 96.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.86 -43.76 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.432 HG12 ' O ' ' B' ' 23' ' ' ILE . 40.5 mm -67.65 -37.43 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.11 -53.71 55.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.065 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.58 -34.06 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.9 ttp -58.96 -41.09 86.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 50.1 tp -82.19 -24.64 34.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -68.3 -33.32 74.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.017 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.959 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' O ' HG23 ' A' ' 9' ' ' VAL . 36.5 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.778 0.241 . . . . 0.0 112.162 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' HG23 ' A' ' 10' ' ' VAL . 37.9 p90 -64.16 -16.1 61.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -57.52 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -72.12 -36.08 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.769 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.613 HG12 HG12 ' B' ' 9' ' ' VAL . 2.4 t -62.23 -52.16 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.591 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 6' ' ' PHE . 88.7 t -57.93 -55.75 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.9 mt -55.49 -35.59 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.679 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -70.98 -43.39 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.82 -52.39 60.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.338 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 18' ' ' VAL . 82.9 mt -57.46 -49.52 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.171 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 tp -53.5 -52.44 59.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.56 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.4 tp -72.23 -31.54 65.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.638 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 14' ' ' ILE . 84.6 t -72.97 -45.9 53.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.231 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 23' ' ' ILE . 34.2 m -64.09 -30.79 50.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.241 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -58.68 -40.26 83.05 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.582 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.5 m -70.65 -33.38 70.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.664 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -70.53 -36.77 67.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.879 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.548 HG21 HG23 ' B' ' 23' ' ' ILE . 36.4 mm -63.89 -45.96 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.014 0.435 . . . . 0.0 110.634 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.9 t -73.62 -25.9 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.295 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.8 tp -64.6 -46.38 82.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.241 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -62.73 -39.45 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.198 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.5 HD11 HD13 ' B' ' 27' ' ' ILE . 40.4 mm -72.05 -36.48 57.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.449 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.06 -42.83 86.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.797 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mm -79.29 -37.02 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.041 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.6 ttm -59.06 -44.89 91.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.714 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.4 tp -75.67 -30.59 59.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.43 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -61.18 -32.4 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.497 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.78 179.81 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.791 0.329 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -57.9 -50.93 71.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.496 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.7 m -59.3 -35.49 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.268 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.613 HG12 HG12 ' A' ' 9' ' ' VAL . 6.4 t -61.61 -51.54 71.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.881 0.372 . . . . 0.0 111.008 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.17 -54.14 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.61 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.8 mt -57.84 -37.35 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.326 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -70.32 -38.4 74.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.182 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -66.26 -55.89 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.59 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.426 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.3 tt -60.63 -38.64 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.384 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.1 -33.23 73.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.668 0.271 . . . . 0.0 110.982 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.16 -32.07 73.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -73.58 -33.49 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.614 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 14' ' ' ILE . 60.6 t -70.24 -41.07 78.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 31.5 m -73.71 -27.09 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.263 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 tp -71.59 -26.47 62.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.818 0.342 . . . . 0.0 110.494 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.418 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 88.2 m -83.74 -35.94 24.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.427 ' O ' HG13 ' B' ' 26' ' ' ILE . 97.8 mt -73.34 -40.36 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.707 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.548 HG23 HG21 ' A' ' 23' ' ' ILE . 18.6 tt -61.82 -36.05 71.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.406 ' HA ' HD12 ' B' ' 27' ' ' ILE . 83.8 p -74.07 -37.54 64.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.884 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 21' ' ' THR . 60.2 mt -61.55 -41.77 97.86 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 22' ' ' ILE . 85.5 mt -56.34 -39.62 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.015 0.436 . . . . 0.0 110.25 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.5 HD13 HD11 ' A' ' 27' ' ' ILE . 38.8 mt -68.71 -39.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.703 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -55.85 29.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.939 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.55 -32.02 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.091 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 32.0 ttm -58.73 -47.05 85.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.057 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.1 tp -81.89 -23.82 36.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -65.69 -35.4 80.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.863 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.881 0.284 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 10' ' ' VAL . 52.8 p90 -70.61 -16.42 62.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.25 -48.61 78.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.547 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.31 -35.77 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.447 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.561 HG12 HG12 ' B' ' 9' ' ' VAL . 2.6 t -62.6 -46.42 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.51 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 6' ' ' PHE . 95.7 t -64.15 -52.13 60.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.982 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -57.85 -41.77 80.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.752 0.311 . . . . 0.0 111.492 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -69.12 -38.82 79.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.249 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -66.99 -57.21 7.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.507 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -54.86 -47.08 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.513 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 tp -54.47 -38.0 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.16 89.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.63 -35.05 79.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.083 0.468 . . . . 0.0 110.446 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.82 -38.43 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.557 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.7 t -67.03 -43.3 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.416 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -57.9 -38.92 76.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.476 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -67.52 -34.71 77.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.97 -36.78 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.944 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.502 HG21 HG23 ' B' ' 23' ' ' ILE . 37.2 mm -63.39 -47.01 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.557 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 t -73.4 -24.14 60.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.635 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.76 -58.98 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 0.0 111.193 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.3 mt -54.19 -39.58 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.556 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.452 HD11 HD13 ' B' ' 27' ' ' ILE . 49.7 mm -70.45 -36.8 68.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.274 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 tp -57.83 -45.77 85.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.748 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.8 mt -78.52 -32.82 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.0 ttm -59.11 -42.95 91.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.307 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.9 tp -80.11 -25.74 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.245 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -62.67 -30.89 71.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.66 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.817 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.8 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.742 0.306 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -60.37 -53.26 59.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.5 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -58.38 -35.18 52.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.233 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.561 HG12 HG12 ' A' ' 9' ' ' VAL . 3.5 t -63.48 -47.26 92.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.321 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.48 -52.64 58.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.35 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -59.62 -37.18 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.122 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.1 m -69.77 -38.83 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.847 0.356 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -64.91 -55.07 21.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.516 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.411 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.5 tt -62.76 -41.66 93.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.618 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 tp -65.65 -33.32 75.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 110.768 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.71 84.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.4 -33.83 67.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.566 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.482 ' O ' HG12 ' B' ' 22' ' ' ILE . 71.6 t -67.05 -45.32 87.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.891 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.47 -31.29 42.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.374 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.416 ' CD1' HG13 ' A' ' 23' ' ' ILE . 42.2 tp -62.33 -31.48 72.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.826 0.346 . . . . 0.0 110.453 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.4 m -79.25 -36.04 40.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.297 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.482 HG12 ' O ' ' B' ' 18' ' ' VAL . 47.0 mm -66.66 -50.43 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.513 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.502 HG23 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -57.67 -32.3 42.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.555 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 37.9 t -73.22 -41.62 63.55 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.026 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.09 -39.58 95.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.119 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -57.98 -39.74 73.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.452 HD13 HD11 ' A' ' 27' ' ' ILE . 45.0 mt -66.3 -45.8 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.046 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.3 tp -57.63 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.399 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.82 -32.33 51.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.265 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 55.6 ttp -64.65 -47.5 78.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.6 tp -75.53 -23.95 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.724 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -68.46 -35.29 77.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.187 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 -179.864 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' VAL . 26.0 Cg_exo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.856 0.273 . . . . 0.0 112.246 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 10' ' ' VAL . 44.1 p90 -62.38 -15.7 50.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.06 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -56.88 -52.68 64.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.506 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.98 -35.46 54.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.705 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' B' ' 9' ' ' VAL . 2.7 t -61.33 -53.31 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.684 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 6' ' ' PHE . 99.2 t -59.52 -53.68 44.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.062 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -54.62 -41.62 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.657 0.265 . . . . 0.0 111.589 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -70.2 -39.55 75.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.44 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.9 -54.91 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.557 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.6 mt -54.7 -50.5 59.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.402 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.51 -36.05 66.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' B' ' 16' ' ' ALA . . . -66.12 -32.47 73.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.01 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.15 -31.85 64.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 22' ' ' ILE . 60.8 t -69.14 -48.19 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 23' ' ' ILE . 35.8 m -62.66 -33.44 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.533 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -58.61 -36.31 73.84 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -76.52 -34.2 58.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.483 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 18' ' ' VAL . 49.9 mm -65.93 -41.73 90.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.704 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.551 HG13 HD11 ' B' ' 20' ' ' LEU . 35.6 mm -69.85 -38.2 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -73.07 -27.95 62.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.5 tp -65.84 -37.53 86.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.703 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.1 mm -67.71 -40.53 84.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.578 HD11 HD11 ' B' ' 27' ' ' ILE . 20.2 mt -70.4 -37.3 70.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.053 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.06 -47.78 83.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.115 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.3 mm -76.91 -36.67 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.34 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.1 ttm -59.66 -42.68 93.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.725 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -80.63 -27.49 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.484 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -63.5 -31.74 72.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.783 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.809 0.337 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -65.92 -25.41 67.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.572 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.42 -35.78 76.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.682 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' A' ' 9' ' ' VAL . 3.4 t -71.57 -47.12 59.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.847 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -57.89 -53.58 43.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.252 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.14 -33.64 47.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.942 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -70.77 -39.2 73.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.73 -53.61 38.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.299 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.473 ' O ' HG23 ' B' ' 18' ' ' VAL . 32.3 mm -57.59 -53.43 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.25 -34.92 74.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.394 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' A' ' 16' ' ' ALA . . . -64.28 -40.77 96.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.504 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.93 -31.76 66.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.452 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 14' ' ' ILE . 69.1 t -68.37 -41.56 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.856 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.55 ' O ' HG12 ' B' ' 23' ' ' ILE . 32.7 m -76.13 -35.15 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.46 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.551 HD11 HG13 ' A' ' 23' ' ' ILE . 58.0 tp -57.28 -37.85 73.04 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.704 0.287 . . . . 0.0 110.533 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.413 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 51.6 m -71.75 -29.78 64.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.947 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.429 ' O ' HG13 ' B' ' 26' ' ' ILE . 97.0 mt -72.97 -37.39 53.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.712 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.55 HG12 ' O ' ' B' ' 19' ' ' VAL . 37.2 mm -62.61 -40.18 87.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.844 0.354 . . . . 0.0 110.36 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 82.7 p -73.36 -38.74 65.6 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.511 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 21' ' ' THR . 54.2 mt -59.3 -39.69 83.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.715 0.293 . . . . 0.0 110.966 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 22' ' ' ILE . 90.7 mt -62.13 -40.46 87.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.578 HD11 HD11 ' A' ' 27' ' ' ILE . 31.7 mt -65.8 -42.87 93.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.729 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.43 -59.23 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.164 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.4 mt -62.3 -32.87 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 36.0 ttm -58.93 -50.67 73.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.5 tp -76.67 -23.59 53.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.318 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 t90 -69.45 -38.78 77.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.968 -179.806 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.81 0.254 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 10' ' ' VAL . 46.9 p90 -71.14 -17.43 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.99 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -59.08 -47.81 83.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.23 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.1 -35.87 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.099 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 t -64.19 -49.61 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.584 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.588 HG22 HG21 ' B' ' 9' ' ' VAL . 91.0 t -61.13 -54.8 30.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.409 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -53.98 -35.81 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.282 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -72.25 -40.15 67.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.021 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -64.37 -56.67 12.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.415 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 18' ' ' VAL . 68.1 mt -55.27 -45.1 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -56.71 -49.26 75.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.1 71.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.086 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.84 -31.96 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 14' ' ' ILE . 96.1 t -73.21 -45.93 51.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.42 -30.62 49.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.056 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.6 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -59.74 -37.23 78.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.95 0.405 . . . . 0.0 110.169 179.697 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 m -75.83 -30.19 58.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.587 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mm -69.06 -44.58 81.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.859 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.584 HG13 HD11 ' B' ' 20' ' ' LEU . 49.8 mm -64.38 -43.11 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.24 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.2 p -72.75 -24.4 60.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.195 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.85 -53.65 25.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mt -56.18 -39.85 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.545 HD11 HD13 ' B' ' 27' ' ' ILE . 46.1 mm -69.73 -36.77 71.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.44 -49.45 77.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.753 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.4 mm -72.19 -31.89 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.4 ttm -62.36 -47.51 83.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.805 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.74 -35.14 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -62.38 -30.31 71.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.361 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.656 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.415 ' O ' HG23 ' B' ' 10' ' ' VAL . 17.4 t80 . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.783 0.325 . . . . 0.0 111.579 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -70.12 -34.15 72.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.761 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -72.18 -40.16 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.588 HG21 HG22 ' A' ' 10' ' ' VAL . 10.1 p -67.64 -37.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 6' ' ' PHE . 89.6 t -66.13 -42.96 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 111.089 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -70.36 -32.46 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -71.33 -38.43 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -66.95 -56.45 10.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.354 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.407 ' O ' HG23 ' B' ' 18' ' ' VAL . 7.8 tp -56.13 -40.64 65.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.501 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.458 ' O ' HG23 ' B' ' 19' ' ' VAL . 53.3 tp -69.41 -40.32 77.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.18 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.06 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.68 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.95 -36.85 80.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 14' ' ' ILE . 84.4 t -69.55 -38.21 76.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.6 HG12 HD21 ' A' ' 20' ' ' LEU . 88.8 t -67.02 -45.95 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.299 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.584 HD11 HG13 ' A' ' 23' ' ' ILE . 33.7 tp -57.63 -37.07 72.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.847 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.431 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 91.2 m -65.7 -42.57 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.258 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.421 ' O ' HG13 ' B' ' 26' ' ' ILE . 46.6 mm -65.77 -44.5 93.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.45 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.452 HG12 ' O ' ' B' ' 19' ' ' VAL . 28.9 mm -56.62 -37.96 55.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.531 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -71.28 -41.46 69.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.243 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 21' ' ' THR . 97.0 mt -61.2 -39.32 89.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.227 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 22' ' ' ILE . 81.2 mt -59.5 -45.64 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.369 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.545 HD13 HD11 ' A' ' 27' ' ' ILE . 41.7 mt -65.86 -39.88 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.316 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.1 -57.66 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.317 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mt -64.93 -32.42 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.282 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.0 ttp -61.88 -46.88 87.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.015 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 42.6 tp -79.18 -23.68 43.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -67.3 -34.66 77.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.991 -179.705 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HG2' HG23 ' A' ' 8' ' ' VAL . 28.6 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.823 0.259 . . . . 0.0 112.23 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -68.58 -19.9 64.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -59.69 -45.13 93.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.467 HG23 ' HG2' ' A' ' 5' ' ' PRO . 59.9 t -62.17 -36.03 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.676 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG12 ' B' ' 9' ' ' VAL . 3.3 t -65.26 -42.54 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.811 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.71 -50.94 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.609 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.3 mt -57.57 -37.65 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.85 0.357 . . . . 0.0 111.246 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -72.1 -38.73 69.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -55.74 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.318 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.3 mt -54.89 -48.56 74.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.271 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 tp -57.05 -34.36 68.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.682 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' B' ' 16' ' ' ALA . . . -66.48 -32.61 74.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.182 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.43 -31.83 65.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.737 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 22' ' ' ILE . 48.3 t -68.78 -48.24 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.311 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.6 m -64.13 -31.83 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.74 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -68.03 -32.71 73.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 109.968 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.8 m -78.14 -35.09 49.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.513 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 18' ' ' VAL . 46.8 mm -69.64 -44.73 79.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.593 HG23 HG21 ' B' ' 23' ' ' ILE . 17.3 tt -64.65 -36.86 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -73.57 -32.01 63.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.03 -37.59 87.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -65.2 -40.85 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.507 HD11 HD11 ' B' ' 27' ' ' ILE . 43.6 mt -69.34 -36.68 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.46 -55.4 35.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.157 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -68.79 -38.42 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.512 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.3 ttm -57.73 -51.47 69.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.902 0.382 . . . . 0.0 110.556 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.8 tp -70.92 -26.06 63.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.681 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -68.62 -18.85 64.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.354 -179.755 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 p90 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.811 0.339 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -58.11 -51.22 70.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.222 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.8 m -62.78 -35.02 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.476 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.519 HG12 HG12 ' A' ' 9' ' ' VAL . 2.8 t -62.2 -51.2 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.777 0.322 . . . . 0.0 111.292 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.38 -48.33 89.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.469 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.96 -37.93 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.455 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 40.8 t -71.14 -38.58 72.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.203 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.11 75.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.66 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.456 ' O ' HG23 ' B' ' 18' ' ' VAL . 20.2 tt -71.23 -38.01 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.621 0.248 . . . . 0.0 111.597 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 tp -68.08 -38.65 82.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.426 ' CB ' ' HB1' ' A' ' 16' ' ' ALA . . . -63.63 -36.05 82.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.396 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.83 -32.22 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.956 0.408 . . . . 0.0 110.469 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 14' ' ' ILE . 59.4 t -69.32 -42.99 81.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.695 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.489 ' O ' HG12 ' B' ' 23' ' ' ILE . 30.1 m -73.47 -31.77 34.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.379 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.59 -42.1 82.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.811 0.338 . . . . 0.0 110.466 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 62.7 m -68.2 -30.29 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.267 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.447 ' O ' HG13 ' B' ' 26' ' ' ILE . 82.6 mt -73.7 -39.64 53.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.751 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.593 HG21 HG23 ' A' ' 23' ' ' ILE . 49.2 mm -61.52 -39.56 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.422 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 87.4 p -73.05 -38.25 66.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.966 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.33 -40.17 89.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 22' ' ' ILE . 90.0 mt -60.76 -39.72 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 27' ' ' ILE . 21.8 mt -65.94 -39.64 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.908 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.2 -58.26 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.209 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 21.4 mm -60.67 -37.81 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.36 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 37.6 ttm -57.79 -51.19 70.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.039 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 35.2 tp -75.08 -23.41 58.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -66.29 -39.17 89.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.289 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.283 -179.614 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo . . . . . 0 CA--C 1.526 0.119 0 CA-C-O 120.735 0.223 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.41 ' O ' HG23 ' A' ' 10' ' ' VAL . 40.0 p90 -65.13 -17.35 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 7' ' ' LYS . 5.7 mtpm? -59.32 -48.57 81.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.219 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.18 -35.57 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.188 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.498 HG12 HG12 ' B' ' 9' ' ' VAL . 2.5 t -63.47 -44.83 98.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.249 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 6' ' ' PHE . 92.8 t -67.54 -54.73 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.676 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.8 mt -53.28 -38.27 30.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.383 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -71.39 -41.2 69.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.055 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.83 -57.13 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.484 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -55.25 -46.03 77.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.045 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 19' ' ' VAL . 56.2 tp -55.04 -39.51 69.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.789 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.89 95.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.243 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.6 mm? -61.84 -36.83 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.615 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 22' ' ' ILE . 64.2 t -65.13 -43.02 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.716 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.544 HG12 HD21 ' B' ' 20' ' ' LEU . 79.8 t -63.03 -41.87 94.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.509 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.4 tm? -57.42 -41.56 80.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 110.325 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -64.42 -33.46 75.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 18' ' ' VAL . 48.7 mm -70.49 -45.17 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.842 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.721 HG21 HG23 ' B' ' 23' ' ' ILE . 42.8 mm -61.69 -46.4 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -67.75 -31.73 71.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.39 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.84 -46.72 86.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.984 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.0 mt -61.21 -39.23 81.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.516 HD11 HD11 ' B' ' 27' ' ' ILE . 49.8 mt -66.89 -39.28 83.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.022 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.68 -45.57 93.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.172 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.37 -43.07 50.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.374 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.6 ttm -58.78 -39.09 80.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.1 tp -81.14 -29.26 34.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.527 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.1 t90 -63.0 -32.27 73.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.462 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.774 179.596 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 17.7 p90 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.781 0.324 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -57.9 -50.45 73.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.319 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.9 m -61.52 -35.27 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.518 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.498 HG12 HG12 ' A' ' 9' ' ' VAL . 3.5 t -63.8 -50.16 78.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.779 0.323 . . . . 0.0 111.084 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -59.32 -48.05 88.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.525 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.41 -36.29 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.308 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -69.57 -39.03 77.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.94 -56.29 10.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.321 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.454 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.3 tp -56.43 -41.25 71.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.404 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 tp -69.17 -35.95 76.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.217 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.42 87.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.336 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.68 -32.49 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.838 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 14' ' ' ILE . 96.9 t -68.7 -43.33 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.129 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.71 -21.77 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.605 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.544 HD21 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -68.77 -34.0 74.83 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.936 0.398 . . . . 0.0 110.471 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 44.5 m -80.75 -36.97 31.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.519 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.72 -39.68 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.721 HG23 HG21 ' A' ' 23' ' ' ILE . 19.2 tt -65.27 -36.42 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 78.6 p -74.03 -39.7 63.38 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 46.2 mt -58.64 -36.8 74.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.02 -39.79 79.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.371 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.516 HD11 HD11 ' A' ' 27' ' ' ILE . 20.6 mt -66.67 -43.87 90.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.833 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.4 tp -56.57 -58.11 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.3 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.0 -37.39 78.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.316 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.6 ttp -61.67 -40.6 95.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.771 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -82.02 -23.51 35.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -69.09 -31.66 70.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.569 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.499 179.6 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.81 0.254 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.417 ' O ' HG23 ' A' ' 10' ' ' VAL . 48.8 p90 -67.4 -15.95 63.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.746 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.51 -52.58 64.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.206 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.61 -35.85 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.346 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.428 HG11 HG22 ' B' ' 10' ' ' VAL . 61.9 t -60.41 -51.84 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.633 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.467 HG22 HG21 ' B' ' 9' ' ' VAL . 73.6 t -63.26 -48.64 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.833 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.0 mt -58.71 -38.06 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.426 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -71.27 -38.64 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.046 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.66 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -66.04 -57.34 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.451 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.6 mt -54.6 -41.92 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.09 -38.04 81.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.07 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.47 86.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.064 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.4 -40.13 96.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.09 -34.68 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.468 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.7 t -72.09 -39.98 66.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.396 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -57.59 -38.05 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.108 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -71.13 -44.74 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.89 -42.37 92.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.638 HG13 HD11 ' B' ' 20' ' ' LEU . 39.1 mm -65.55 -43.01 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 t -73.52 -19.51 60.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.317 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.1 tp -76.65 -54.58 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.484 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mt -57.11 -39.81 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.348 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 tp -71.52 -36.23 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.0 tp -58.15 -47.86 82.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.609 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.9 mm -71.2 -32.09 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.796 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.59 -46.25 90.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.0 tp -76.99 -27.06 54.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.4 t90 -64.09 -28.45 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.238 -179.87 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.493 ' O ' HG23 ' B' ' 10' ' ' VAL . 2.3 p90 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 121.063 0.459 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -65.47 -30.2 70.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.108 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 t -72.55 -42.94 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.79 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.467 HG21 HG22 ' A' ' 10' ' ' VAL . 11.3 p -69.72 -33.95 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.767 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 6' ' ' PHE . 71.0 t -66.7 -51.65 53.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.737 0.304 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.62 -34.11 65.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -70.07 -38.42 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.66 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -61.83 -57.03 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.54 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.438 ' O ' HG23 ' B' ' 18' ' ' VAL . 16.4 tt -59.64 -42.22 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.467 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 tp -65.88 -28.76 69.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.82 89.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.301 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.78 -32.8 63.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 14' ' ' ILE . 91.3 t -67.11 -42.91 88.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.472 ' O ' HG12 ' B' ' 23' ' ' ILE . 29.2 m -72.15 -34.45 49.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.301 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.638 HD11 HG13 ' A' ' 23' ' ' ILE . 55.5 tp -58.2 -41.29 83.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.945 0.403 . . . . 0.0 110.481 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.4 m -68.06 -35.72 78.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.68 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -70.68 -37.73 70.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.472 HG12 ' O ' ' B' ' 19' ' ' VAL . 32.6 mm -61.63 -39.1 81.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 110.227 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.2 t -73.28 -37.54 66.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.27 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.57 -42.37 95.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.295 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 98.4 mt -60.46 -39.58 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.892 0.377 . . . . 0.0 110.992 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 82.8 mt -72.92 -37.31 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.307 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.71 -54.18 46.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mt -64.53 -37.01 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.396 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.2 ttp -59.34 -49.63 77.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.988 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 tp -71.13 -27.85 63.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 60.5 t90 -72.74 -22.95 60.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.017 -179.813 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo . . . . . 0 C--O 1.23 0.103 0 CA-C-O 120.82 0.258 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 10' ' ' VAL . 33.7 p90 -68.61 -15.66 63.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -57.13 -51.72 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.315 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.22 -35.45 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.441 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.501 HG11 HG22 ' B' ' 10' ' ' VAL . 43.7 t -60.69 -49.73 83.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.749 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.509 HG22 HG21 ' B' ' 9' ' ' VAL . 96.4 t -62.04 -50.52 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.538 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.7 mt -56.34 -46.21 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.258 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -63.88 -38.76 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.703 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.01 -56.26 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.469 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -54.62 -44.87 71.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.353 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.64 -35.05 73.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.611 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.0 73.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.19 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.71 -33.83 66.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.47 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 22' ' ' ILE . 58.0 t -67.88 -52.6 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.763 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.85 -36.64 67.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.441 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -57.72 -44.03 85.69 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.687 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.8 m -68.64 -37.97 80.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.787 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 18' ' ' VAL . 41.9 mm -61.52 -41.52 90.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.757 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.442 HG13 HD11 ' B' ' 20' ' ' LEU . 44.4 mm -63.57 -44.65 98.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -72.37 -20.11 61.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.302 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -76.74 -40.5 48.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.34 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mm -62.91 -43.45 98.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 111.284 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.661 HG12 HD12 ' B' ' 27' ' ' ILE . 2.8 mp -76.39 -36.49 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.607 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.4 tp -50.09 -44.3 51.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.953 0.406 . . . . 0.0 110.397 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -79.56 -31.44 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.654 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 39.5 ttm -59.06 -52.04 67.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.964 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.3 tp -73.35 -24.05 60.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.689 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -65.69 -27.13 68.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.326 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.987 179.796 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.449 ' O ' HG23 ' B' ' 10' ' ' VAL . 2.2 p90 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -67.53 -26.38 66.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.778 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.5 t -72.21 -44.35 64.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.383 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.509 HG21 HG22 ' A' ' 10' ' ' VAL . 14.2 p -71.24 -31.25 43.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.355 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.501 HG22 HG11 ' A' ' 9' ' ' VAL . 53.8 t -69.1 -50.81 49.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 110.647 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.46 -37.31 79.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.621 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.0 t -67.26 -38.41 85.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.7 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.703 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -65.3 -57.5 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.501 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.483 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.0 tp -58.08 -41.05 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.288 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -69.49 -30.88 68.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 111.005 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.61 89.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.472 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 17' ' ' LEU . 4.5 mm? -71.68 -31.68 67.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.436 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 14' ' ' ILE . 83.4 t -66.94 -49.48 73.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.455 ' O ' HG12 ' B' ' 23' ' ' ILE . 24.5 m -62.91 -35.91 73.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.635 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.442 HD11 HG13 ' A' ' 23' ' ' ILE . 57.4 tp -57.87 -33.35 68.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.696 0.284 . . . . 0.0 110.732 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -74.26 -44.05 54.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.244 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.75 -36.92 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.471 ' O ' HG12 ' B' ' 27' ' ' ILE . 28.9 mm -62.68 -46.27 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.3 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.3 m -65.47 -36.94 85.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.056 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.73 -46.73 81.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.214 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.62 -40.0 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.882 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.661 HD12 HG12 ' A' ' 27' ' ' ILE . 39.7 mm -69.31 -43.5 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.219 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.51 -58.92 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 36.4 mm -56.85 -34.56 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.418 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.9 ttp -65.87 -43.63 87.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.256 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.5 tp -75.05 -23.64 58.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -71.85 -38.24 70.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.907 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HG2' HG23 ' A' ' 8' ' ' VAL . 35.1 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.74 0.225 . . . . 0.0 112.175 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.425 ' O ' HG23 ' A' ' 10' ' ' VAL . 55.8 p90 -65.59 -19.74 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -59.89 -46.79 88.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.464 HG23 ' HG2' ' A' ' 5' ' ' PRO . 57.7 t -64.99 -35.49 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.816 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.5 HG12 HG12 ' B' ' 9' ' ' VAL . 6.6 t -64.92 -48.38 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.308 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 6' ' ' PHE . 93.8 t -61.1 -50.69 79.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.571 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.3 mt -56.09 -39.25 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.381 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -70.61 -38.93 74.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.29 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.85 -54.84 18.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.556 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.4 mt -55.22 -52.66 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.366 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 tp -53.78 -36.4 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -33.8 76.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.372 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.7 mt -73.08 -32.57 65.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.417 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 22' ' ' ILE . 56.0 t -68.53 -46.58 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.917 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.41 -38.78 83.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.459 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.2 tm? -58.3 -37.81 75.8 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.3 m -73.54 -35.59 65.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.602 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 18' ' ' VAL . 33.7 mm -63.84 -41.37 92.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.389 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -66.44 -42.61 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.618 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.5 t -70.28 -26.39 63.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.401 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 tp -67.63 -52.45 38.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.994 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.68 -39.79 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.516 HD13 HD11 ' B' ' 27' ' ' ILE . 50.6 mt -65.73 -41.67 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.279 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.6 tp -56.32 -51.84 66.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.038 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.2 mt -69.76 -32.99 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.8 ttm -61.36 -43.93 98.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.445 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.1 tp -79.06 -29.61 43.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.458 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -60.56 -33.95 73.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.748 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.764 179.797 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.423 ' O ' HG23 ' B' ' 10' ' ' VAL . 11.2 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.604 0.24 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.04 -48.16 79.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.604 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.71 -35.02 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.35 . . . . 0.0 110.995 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.5 HG12 HG12 ' A' ' 9' ' ' VAL . 2.7 t -64.71 -48.76 83.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 6' ' ' PHE . 87.8 t -58.04 -53.29 47.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.198 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.4 mm -59.81 -38.61 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.385 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -68.13 -38.81 82.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.05 -57.28 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.436 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tp -57.09 -41.73 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.428 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.08 -34.37 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.146 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.52 -34.37 78.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.266 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 17' ' ' LEU . 4.2 mm? -72.18 -32.41 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.396 . . . . 0.0 110.636 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.406 ' O ' HG12 ' B' ' 22' ' ' ILE . 97.6 t -69.03 -47.51 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.955 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -65.49 -30.84 51.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.173 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.94 -51.01 71.88 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.83 0.348 . . . . 0.0 110.562 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.423 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 88.9 m -64.41 -35.8 82.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.257 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.406 HG12 ' O ' ' B' ' 18' ' ' VAL . 31.9 mm -64.05 -39.74 86.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.695 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.446 HD12 ' CD2' ' A' ' 20' ' ' LEU . 5.1 mt -65.83 -37.06 79.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.805 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.5 m -73.59 -34.21 64.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' B' ' 21' ' ' THR . 86.0 mt -67.72 -42.9 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.397 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.38 -43.17 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.704 0.288 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.516 HD11 HD13 ' A' ' 27' ' ' ILE . 49.3 mm -66.16 -43.44 92.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.373 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.35 -54.79 42.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.407 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 54.3 mt -65.5 -31.16 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.358 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.8 ttp -66.73 -43.36 84.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 43.8 tp -79.63 -23.3 42.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -68.4 -38.14 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.929 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.254 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.839 0.266 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' HG23 ' A' ' 10' ' ' VAL . 46.8 p90 -66.98 -18.23 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.598 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -59.72 -46.23 89.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.275 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -65.46 -35.74 76.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.568 HG12 HG12 ' B' ' 9' ' ' VAL . 2.1 t -64.89 -44.08 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 6' ' ' PHE . 89.2 t -66.25 -57.4 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.522 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.4 mt -53.02 -38.96 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.564 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -70.41 -42.29 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -62.28 -54.64 37.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.198 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.5 mm -55.32 -45.08 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.291 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.0 tp -59.04 -36.5 75.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.013 0.435 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.96 -30.78 70.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.228 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.05 -46.93 40.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.565 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 m -60.78 -39.69 82.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.545 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' HG12 ' A' ' 23' ' ' ILE . 33.8 m -69.03 -36.14 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.944 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.9 tm? -57.7 -44.71 86.08 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.4 m -63.95 -34.95 79.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.53 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.73 -35.83 71.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.531 HG21 HG23 ' B' ' 23' ' ' ILE . 45.3 mm -63.71 -48.77 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.984 0.421 . . . . 0.0 110.554 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.7 p -73.72 -21.28 60.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.461 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.63 -47.9 71.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.35 -39.68 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.965 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.461 HD11 HD13 ' B' ' 27' ' ' ILE . 42.9 mm -73.01 -36.43 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.43 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -56.97 -46.71 82.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.58 -32.22 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.031 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.8 ttm -59.33 -50.89 72.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.2 tp -73.27 -29.89 63.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.396 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -63.89 -32.36 73.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.459 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.328 179.714 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.407 ' O ' HG23 ' B' ' 10' ' ' VAL . 44.4 p90 . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.763 0.316 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.426 ' O ' HG12 ' B' ' 11' ' ' ILE . 5.5 tppp? -57.45 -51.98 67.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.26 -35.46 74.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.707 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.568 HG12 HG12 ' A' ' 9' ' ' VAL . 8.1 t -61.54 -55.54 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.785 0.326 . . . . 0.0 111.469 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 6' ' ' PHE . 87.5 t -55.59 -49.21 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.746 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 7' ' ' LYS . 43.8 mm -61.79 -41.04 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.244 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.4 t -66.64 -38.54 87.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.301 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -68.7 -54.94 13.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.411 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.464 ' O ' HG23 ' B' ' 18' ' ' VAL . 9.3 tp -59.0 -41.57 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.348 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.404 ' N ' HG23 ' B' ' 14' ' ' ILE . 56.1 tp -69.22 -37.57 78.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.351 . . . . 0.0 111.322 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.427 ' O ' HG22 ' B' ' 19' ' ' VAL . . . -63.69 -38.6 91.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.802 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.94 -31.56 72.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.892 0.377 . . . . 0.0 110.559 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 14' ' ' ILE . 92.9 t -70.9 -47.46 62.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.052 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 16' ' ' ALA . 20.1 m -65.77 -29.24 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.478 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 52.8 tp -67.41 -26.57 66.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.884 0.373 . . . . 0.0 110.366 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 86.0 m -83.55 -42.23 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.462 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.73 -42.06 91.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.587 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.531 HG23 HG21 ' A' ' 23' ' ' ILE . 18.8 tt -61.98 -38.68 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 89.1 p -73.74 -32.43 63.85 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.506 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 36.1 mt -65.6 -41.14 93.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.12 -39.72 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.578 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.461 HD13 HD11 ' A' ' 27' ' ' ILE . 47.0 mt -67.37 -44.23 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.005 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.24 -52.34 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.068 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 98.8 mt -67.13 -33.4 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.1 ttp -62.2 -42.23 99.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 37.7 tp -78.69 -23.86 45.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.8 t90 -69.61 -33.44 72.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.16 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.864 0.277 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.567 ' HA ' HG22 ' A' ' 9' ' ' VAL . 52.3 p90 -69.71 -15.4 63.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.971 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.14 -47.86 80.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.924 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.0 t -72.8 -42.65 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.567 HG22 ' HA ' ' A' ' 6' ' ' PHE . 19.3 m -66.73 -34.51 70.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.2 p -71.44 -41.94 73.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.113 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -70.3 -34.34 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.389 . . . . 0.0 110.711 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -71.88 -38.6 69.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.692 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.27 -53.87 37.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 18' ' ' VAL . 80.8 mt -55.0 -48.33 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.88 -37.61 71.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.8 72.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.004 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.35 -31.81 64.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.408 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 14' ' ' ILE . 59.8 t -69.0 -41.4 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 23' ' ' ILE . 30.8 m -73.41 -30.48 30.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.611 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.663 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -58.45 -38.36 77.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.914 0.387 . . . . 0.0 110.055 179.501 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.1 m -74.94 -34.01 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.959 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.5 -46.58 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.0 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.597 ' HB ' HD12 ' B' ' 23' ' ' ILE . 46.6 mm -57.92 -47.12 87.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -73.14 -23.76 60.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.536 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.01 -49.83 64.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.772 0.32 . . . . 0.0 111.15 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.1 mm -57.06 -39.6 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.434 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.472 HD11 HD13 ' B' ' 27' ' ' ILE . 25.8 mm -73.18 -36.86 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.511 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.83 -43.85 81.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.886 0.374 . . . . 0.0 110.576 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -79.45 -32.36 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.3 ttm -60.04 -49.92 75.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -75.12 -29.92 60.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -61.59 -30.41 70.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.669 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.827 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.024 0.44 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -58.23 -52.89 63.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.393 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.7 m -59.36 -35.54 58.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.425 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t -63.74 -49.52 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.401 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.37 -47.89 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.77 -35.62 68.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.233 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.5 t -68.08 -38.71 82.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.02 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -68.92 -51.79 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.666 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.415 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.7 tp -62.1 -39.88 85.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.55 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 19' ' ' VAL . 60.7 tp -69.09 -42.33 76.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.22 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.51 89.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.567 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.41 -36.78 81.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.929 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.462 ' O ' HG12 ' B' ' 22' ' ' ILE . 98.5 t -68.42 -40.11 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.663 HG12 HD21 ' A' ' 20' ' ' LEU . 72.4 t -67.45 -39.92 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.471 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.726 HD12 HD11 ' B' ' 23' ' ' ILE . 60.5 tp -57.61 -31.94 66.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.736 0.303 . . . . 0.0 110.738 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 59.7 m -78.52 -32.3 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.509 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.462 HG12 ' O ' ' B' ' 18' ' ' VAL . 46.8 mm -69.95 -46.78 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.726 HD11 HD12 ' B' ' 20' ' ' LEU . 30.3 pt -64.02 -32.71 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 94.0 p -72.43 -39.03 68.17 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.2 -39.25 92.59 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.709 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.71 -40.77 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.073 0.463 . . . . 0.0 110.577 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.472 HD13 HD11 ' A' ' 27' ' ' ILE . 53.1 mt -66.92 -46.1 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.951 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.5 tp -55.51 -56.44 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.999 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -62.88 -31.08 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.195 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 30.2 ttm -64.78 -44.64 89.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 49.4 tp -78.86 -23.72 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -69.52 -35.06 75.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.721 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.854 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.696 0.207 . . . . 0.0 112.099 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 10' ' ' VAL . 43.4 p90 -71.22 -17.15 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 11' ' ' ILE . 99.3 mttt -57.98 -53.65 55.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.227 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -58.07 -35.06 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.603 HG12 HG12 ' B' ' 9' ' ' VAL . 2.8 t -64.99 -44.24 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 6' ' ' PHE . 67.2 t -66.64 -48.03 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.534 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 7' ' ' LYS . 45.2 mm -58.07 -38.82 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.217 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.6 m -72.03 -39.8 68.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.208 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.86 -57.44 8.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.446 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 18' ' ' VAL . 86.6 mt -54.61 -46.55 72.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.83 -38.08 69.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.704 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.22 -33.58 76.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.042 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.19 -34.19 70.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.658 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 14' ' ' ILE . 47.0 t -67.04 -47.91 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 m -66.73 -31.06 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.417 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.755 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -57.99 -40.6 81.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.993 0.425 . . . . 0.0 110.226 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -73.72 -37.37 65.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.792 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.2 mt -64.77 -37.54 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.536 HG13 HD11 ' B' ' 20' ' ' LEU . 29.1 mm -66.81 -45.84 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.022 0.439 . . . . 0.0 110.457 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -73.43 -18.47 61.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.231 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.6 tp -75.43 -49.0 20.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.221 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.26 -41.68 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.536 HD13 HG23 ' B' ' 27' ' ' ILE . 10.2 tp -73.41 -36.26 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.184 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 tp -57.09 -50.23 73.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.938 0.399 . . . . 0.0 110.399 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mm -70.14 -34.57 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.751 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 44.0 ttm -60.71 -42.54 97.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.755 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.7 tp -79.29 -30.29 42.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.601 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -59.58 -35.03 73.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.579 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.633 179.559 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.945 0.402 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.412 ' O ' HG12 ' B' ' 11' ' ' ILE . 37.6 ttpt -58.01 -33.69 69.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 t -68.6 -36.06 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.603 HG12 HG12 ' A' ' 9' ' ' VAL . 6.5 t -69.67 -40.04 78.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.563 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.25 -56.39 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.77 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.412 HG12 ' O ' ' B' ' 7' ' ' LYS . 13.5 pt -60.89 -38.97 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.615 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -66.18 -38.11 87.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.13 -56.17 12.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.428 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.436 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.3 tp -60.51 -40.66 85.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.132 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.414 ' O ' HG23 ' B' ' 19' ' ' VAL . 60.5 tp -66.29 -36.72 83.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.56 96.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.178 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.38 -39.62 93.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.551 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 14' ' ' ILE . 95.5 t -63.36 -35.58 72.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.164 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.755 HG12 HD21 ' A' ' 20' ' ' LEU . 76.4 t -70.62 -42.83 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.056 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.536 HD11 HG13 ' A' ' 23' ' ' ILE . 52.3 tp -57.72 -33.88 68.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.688 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 68.3 m -72.93 -42.17 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.211 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.417 ' O ' HG13 ' B' ' 26' ' ' ILE . 38.8 mm -61.42 -42.92 95.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.517 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.452 HG12 ' O ' ' B' ' 19' ' ' VAL . 32.0 mm -61.74 -38.85 81.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.759 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.0 t -70.14 -35.64 74.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.428 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.48 -43.56 72.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 22' ' ' ILE . 96.3 mt -58.19 -43.29 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.536 HG23 HD13 ' A' ' 27' ' ' ILE . 87.2 mt -69.89 -38.26 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.63 -56.67 18.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.254 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 75.5 mt -64.32 -36.85 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.574 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.1 ttp -59.37 -39.05 82.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 tp -81.68 -23.88 36.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.652 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -67.97 -39.15 83.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.174 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.138 -179.827 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo . . . . . 0 C--O 1.23 0.104 0 CA-C-O 120.724 0.218 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -67.45 -17.05 64.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.82 -44.9 93.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.069 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.25 -36.0 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.294 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.443 HG12 HG12 ' B' ' 9' ' ' VAL . 2.3 t -64.12 -45.77 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.042 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.3 t -65.91 -55.53 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.449 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.2 mt -54.85 -37.72 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.369 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -70.46 -43.25 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -56.08 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -55.07 -41.87 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -56.52 -52.65 63.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.438 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.92 -32.97 70.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.304 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.22 -41.01 99.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.686 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.04 -34.19 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.802 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 15' ' ' LEU . 60.0 t -68.67 -37.58 77.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.521 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.66 -32.61 74.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -74.94 -35.23 62.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.09 -43.3 51.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.994 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.615 HG23 HG21 ' B' ' 23' ' ' ILE . 9.0 tp -63.37 -38.97 83.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -73.99 -29.88 62.19 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.6 -39.02 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mm -62.19 -39.69 84.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.48 HD11 HD11 ' B' ' 27' ' ' ILE . 32.8 mt -71.44 -38.73 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.117 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.54 -46.2 89.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mm -75.23 -32.81 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.272 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.5 ttm -65.47 -43.85 89.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.203 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -78.32 -34.55 48.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.628 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -60.3 -32.35 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.628 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.757 0.313 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -58.7 -35.65 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.779 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.412 HG23 ' H ' ' B' ' 8' ' ' VAL . 2.6 t -67.38 -35.76 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.052 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.443 HG12 HG12 ' A' ' 9' ' ' VAL . 3.5 t -68.29 -49.54 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.51 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.25 -55.68 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.88 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.62 -40.09 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.483 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.0 t -66.62 -38.25 86.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.218 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.43 -57.37 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.791 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.415 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.0 tt -59.94 -42.67 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.683 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.401 ' N ' HG23 ' B' ' 14' ' ' ILE . 64.2 tp -63.25 -34.23 77.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.79 0.328 . . . . 0.0 110.811 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.0 82.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.354 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.93 -37.04 67.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.577 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 14' ' ' ILE . 96.5 t -65.46 -43.23 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.43 ' O ' HG12 ' B' ' 23' ' ' ILE . 33.7 m -72.39 -32.04 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.394 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -57.51 -42.95 83.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.891 0.377 . . . . 0.0 110.326 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 61.7 m -66.91 -34.03 76.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.097 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.425 ' O ' HG13 ' B' ' 26' ' ' ILE . 43.9 mm -65.4 -46.2 90.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.595 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.615 HG21 HG23 ' A' ' 23' ' ' ILE . 49.3 mm -58.58 -36.7 60.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.7 m -71.12 -42.27 69.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.384 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.31 -35.86 80.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.219 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 22' ' ' ILE . 91.5 mt -62.54 -40.39 88.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.715 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.48 HD11 HD11 ' A' ' 27' ' ' ILE . 28.2 mt -70.72 -41.16 77.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.06 -55.66 30.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.244 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.5 mt -66.52 -37.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.419 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.4 ttp -57.2 -45.78 83.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.27 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 28.3 tp -79.79 -25.85 40.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -64.62 -34.89 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.724 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.555 179.818 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.837 0.265 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.459 ' HA ' HG12 ' A' ' 9' ' ' VAL . 52.0 p90 -67.4 -15.78 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -57.06 -43.92 82.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.5 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.5 t -72.19 -42.59 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.474 HG21 HG22 ' B' ' 10' ' ' VAL . 9.1 p -66.18 -34.62 71.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 6' ' ' PHE . 75.3 t -71.4 -53.79 19.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.718 0.294 . . . . 0.0 111.022 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -57.21 -39.28 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.961 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -67.06 -38.96 86.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.878 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -64.57 -54.14 36.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -55.44 -45.92 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.174 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.9 tp -58.47 -37.99 76.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.92 -31.94 73.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.79 -37.2 65.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.19 -40.98 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.347 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.8 p -71.48 -29.34 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.531 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CD1' HG13 ' B' ' 23' ' ' ILE . 46.5 tp -69.53 -25.74 64.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 110.715 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.9 m -83.24 -35.51 25.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.528 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.6 mt -72.77 -40.13 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.517 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.625 HG23 HG21 ' B' ' 23' ' ' ILE . 7.9 tp -64.55 -39.15 84.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.418 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.2 t -74.61 -31.31 61.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.974 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.94 -44.07 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.123 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.8 -39.67 84.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.564 HD11 HD11 ' B' ' 27' ' ' ILE . 59.3 mt -68.33 -38.59 79.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.254 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.49 -50.7 72.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.2 mm -70.58 -37.37 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.237 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.9 ttm -60.2 -51.46 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.826 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.5 tp -70.47 -26.82 63.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -64.93 -26.89 68.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.96 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 p90 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.838 0.351 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -59.04 -47.66 84.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.861 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.7 m -62.42 -35.24 68.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.663 0.268 . . . . 0.0 111.33 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.79 -49.52 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.687 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.474 HG22 HG21 ' A' ' 9' ' ' VAL . 53.5 t -60.81 -48.85 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.526 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.3 -34.93 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.395 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -70.94 -38.84 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.143 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -65.7 -53.2 44.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.587 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.447 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.2 tt -62.08 -39.02 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.429 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.9 tp -69.46 -31.73 70.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.014 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.24 82.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.494 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -73.21 -36.63 66.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.797 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 14' ' ' ILE . 96.4 t -64.24 -42.51 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.453 ' O ' HG12 ' B' ' 23' ' ' ILE . 32.9 m -74.31 -34.71 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.409 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.46 -43.93 84.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.71 0.291 . . . . 0.0 110.512 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -66.37 -32.8 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 0.0 110.102 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 26' ' ' ILE . 96.6 mt -70.46 -34.81 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.376 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.625 HG21 HG23 ' A' ' 23' ' ' ILE . 38.0 mm -64.07 -41.22 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.408 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 81.6 p -72.06 -38.39 69.47 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.49 -34.78 74.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.652 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 22' ' ' ILE . 96.7 mt -65.31 -40.67 89.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.76 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 27' ' ' ILE . 38.4 mt -69.42 -42.5 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -55.92 -57.58 11.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.205 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.94 -30.66 51.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 36.6 ttm -61.39 -52.1 66.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 50.3 tp -74.01 -24.41 59.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.098 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -63.94 -35.51 80.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.822 0.259 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 10' ' ' VAL . 45.8 p90 -71.1 -16.35 62.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -57.74 -53.21 60.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.374 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.93 -35.65 69.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.212 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.615 HG12 HG12 ' B' ' 9' ' ' VAL . 2.5 t -64.6 -45.73 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.339 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 6' ' ' PHE . 91.9 t -66.79 -52.77 41.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.467 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -55.34 -38.72 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.437 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.5 t -70.26 -39.71 74.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.857 0.36 . . . . 0.0 111.105 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.37 -55.9 15.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.234 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.2 mt -55.35 -44.05 73.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.15 -39.56 79.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.05 -34.76 66.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.447 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.67 -45.68 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 23' ' ' ILE . 33.7 m -66.6 -35.03 73.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.365 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.53 HD21 HG12 ' B' ' 19' ' ' VAL . 1.3 tm? -57.95 -44.71 87.15 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.784 0.326 . . . . 0.0 110.241 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.8 m -66.28 -32.47 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.391 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.23 -34.07 53.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.51 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 19' ' ' VAL . 34.7 mm -63.8 -49.44 81.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.675 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.0 p -73.54 -23.4 59.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.838 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.7 -51.49 58.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.636 0.255 . . . . 0.0 111.33 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -59.16 -41.05 82.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.084 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 23' ' ' ILE . 33.5 mm -70.55 -35.89 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.29 -44.88 92.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -76.41 -40.85 35.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.382 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.5 ttp -59.5 -43.34 93.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.965 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -74.77 -27.09 60.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.329 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -70.46 -26.23 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.759 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.762 0.315 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -58.24 -51.89 67.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.265 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -61.93 -35.58 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.358 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.615 HG12 HG12 ' A' ' 9' ' ' VAL . 5.5 t -63.07 -51.97 64.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.252 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' VAL . . . . . 0.409 ' O ' HG22 ' B' ' 14' ' ' ILE . 69.2 t -58.1 -50.46 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.581 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.54 -33.53 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.17 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 44.8 t -71.53 -38.63 71.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.058 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.19 -53.88 15.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.479 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.409 HG22 ' O ' ' B' ' 10' ' ' VAL . 8.6 tp -57.43 -41.83 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.405 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.406 ' N ' HG23 ' B' ' 14' ' ' ILE . 55.2 tp -68.9 -34.48 75.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.93 99.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.69 -38.78 86.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.644 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.445 ' O ' HD13 ' B' ' 22' ' ' ILE . 47.9 t -67.48 -34.98 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.558 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.53 HG12 HD21 ' A' ' 20' ' ' LEU . 62.4 t -70.95 -34.59 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.433 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.51 HD13 ' O ' ' B' ' 20' ' ' LEU . 0.4 OUTLIER -67.18 -32.26 73.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.85 0.357 . . . . 0.0 110.627 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.404 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 40.5 m -76.5 -43.79 38.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.696 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.445 HD13 ' O ' ' B' ' 18' ' ' VAL . 1.7 mp -68.33 -41.56 83.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.008 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.429 HG23 HG21 ' A' ' 23' ' ' ILE . 17.0 tt -61.56 -37.54 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 84.5 p -74.08 -34.9 64.17 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.866 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 21' ' ' THR . 56.7 mt -63.4 -44.93 93.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -54.44 -39.71 46.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.634 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 36.2 mt -69.58 -40.03 79.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.709 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.32 -58.16 9.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.102 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.29 -36.4 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 34.4 ttm -56.18 -46.9 79.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.982 0.42 . . . . 0.0 110.775 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -76.58 -23.78 53.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.937 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -68.52 -32.72 72.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.841 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.853 0.272 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -64.5 -15.72 61.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -57.1 -50.83 71.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.122 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -70.78 -35.73 61.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.282 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.551 HG12 HG12 ' B' ' 9' ' ' VAL . 4.3 t -58.89 -50.67 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.409 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 14' ' ' ILE . 84.8 t -61.99 -58.71 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.592 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.4 mt -49.87 -38.83 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -71.7 -38.6 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.77 -57.31 10.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.894 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.4 pt -61.81 -38.45 80.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.37 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 tp -56.19 -54.91 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.676 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.12 -31.31 69.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.033 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.61 -36.58 82.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.544 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 14' ' ' ILE . 97.4 t -68.75 -39.81 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.268 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 23' ' ' ILE . 58.9 t -63.05 -38.14 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -57.4 -38.15 73.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.223 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -71.59 -35.75 70.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.555 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 18' ' ' VAL . 49.4 mm -66.38 -38.9 82.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.714 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.5 HG21 HG23 ' B' ' 23' ' ' ILE . 42.3 mm -65.45 -45.39 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.767 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.9 t -73.31 -21.63 60.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.701 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -68.89 -49.95 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.741 0.305 . . . . 0.0 111.075 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -59.3 -39.65 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.504 HD11 HD13 ' B' ' 27' ' ' ILE . 41.8 mm -72.44 -36.72 55.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.52 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.43 -42.2 91.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.5 mm -79.08 -40.92 22.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.58 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 ttp -60.53 -38.78 85.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.725 0.297 . . . . 0.0 110.901 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.5 tp -77.9 -33.18 52.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.057 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.3 t90 -64.62 -29.83 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.664 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.771 179.869 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.935 0.398 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -58.01 -40.62 81.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.45 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.55 -35.14 73.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.81 0.338 . . . . 0.0 111.223 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.551 HG12 HG12 ' A' ' 9' ' ' VAL . 2.5 t -65.97 -48.65 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.214 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.39 -47.65 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.395 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.8 mt -66.38 -36.42 77.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.419 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -68.92 -38.73 79.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 111.115 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.38 -52.71 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.258 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.471 ' O ' HG23 ' B' ' 18' ' ' VAL . 9.5 tp -59.99 -37.31 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.28 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.38 -36.56 76.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.232 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.96 79.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.275 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.64 -31.67 68.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 110.39 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 14' ' ' ILE . 92.1 t -70.86 -42.37 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.925 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.11 -24.95 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.48 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -26.92 65.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.975 0.417 . . . . 0.0 110.178 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 86.3 m -83.89 -42.35 16.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.585 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 66.1 mt -68.58 -38.07 78.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.5 HG23 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -63.15 -35.62 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.295 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.433 ' HA ' HD12 ' B' ' 27' ' ' ILE . 31.0 m -74.08 -44.18 54.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.956 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -55.18 -45.36 75.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.64 -40.34 50.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.608 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.504 HD13 HD11 ' A' ' 27' ' ' ILE . 46.0 mt -67.21 -47.35 81.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.78 -56.17 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.443 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.01 -34.56 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.341 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.4 ttp -60.68 -46.82 88.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 110.552 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 31.2 tp -75.46 -25.18 57.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.42 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -65.95 -33.54 76.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.778 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.972 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.799 0.25 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.492 ' HA ' HG12 ' A' ' 9' ' ' VAL . 43.6 p90 -70.97 -16.94 62.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' HG12 ' A' ' 11' ' ' ILE . 33.9 ttmt -63.07 -42.97 99.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.762 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.2 t -72.42 -39.55 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 6' ' ' PHE . 12.4 p -68.67 -32.31 54.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 6' ' ' PHE . 47.9 t -71.09 -47.79 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.641 0.258 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 7' ' ' LYS . 37.5 mm -58.94 -41.55 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -69.36 -40.66 77.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -61.39 -53.93 50.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.1 mt -56.31 -49.1 78.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.357 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 19' ' ' VAL . 55.8 tp -55.39 -40.3 71.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.848 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' B' ' 16' ' ' ALA . . . -57.54 -43.11 84.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.24 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.41 -33.5 75.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.5 t -68.87 -36.01 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.723 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 23' ' ' ILE . 65.0 t -69.83 -44.01 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.188 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.577 HD21 HG12 ' B' ' 19' ' ' VAL . 1.7 tm? -57.29 -39.7 76.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.235 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.0 m -66.21 -33.92 76.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.581 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.3 mm -72.8 -38.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.775 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.534 HG21 HG23 ' B' ' 23' ' ' ILE . 49.2 mm -62.72 -47.55 92.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.987 0.422 . . . . 0.0 110.928 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.0 t -73.07 -22.42 60.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.472 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.6 tp -70.11 -45.68 66.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.6 mm -62.45 -41.17 90.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.343 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.501 HD11 HD13 ' B' ' 27' ' ' ILE . 46.1 mm -73.55 -36.51 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.624 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.7 tp -54.13 -50.93 65.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.998 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.443 HD12 ' N ' ' A' ' 29' ' ' ILE . 2.5 mp -74.93 -34.73 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.8 ttm -56.34 -45.41 80.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.686 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -78.87 -25.94 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.63 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -63.55 -32.17 73.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.674 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.942 179.692 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 p90 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.891 0.376 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.435 ' O ' HG12 ' B' ' 11' ' ' ILE . 41.0 ttmt -64.06 -40.42 96.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.9 t -62.85 -35.53 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 37.2 t -71.12 -45.21 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.353 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.67 -49.42 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.463 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.435 HG12 ' O ' ' B' ' 7' ' ' LYS . 37.0 mm -63.46 -35.77 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.195 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.0 t -69.64 -38.53 77.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -67.3 -56.07 11.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.495 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.413 HG23 ' N ' ' B' ' 15' ' ' LEU . 8.1 tp -57.35 -42.46 80.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.574 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.413 ' N ' HG23 ' B' ' 14' ' ' ILE . 62.9 tp -69.4 -35.6 75.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.028 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' A' ' 16' ' ' ALA . . . -58.33 -45.07 88.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.36 -38.52 91.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.023 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 14' ' ' ILE . 91.6 t -64.26 -38.39 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.623 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.577 HG12 HD21 ' A' ' 20' ' ' LEU . 84.4 t -72.74 -32.21 39.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.416 HD21 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -65.33 -31.36 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.691 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 63.0 m -78.37 -45.28 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.152 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.29 -43.14 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.534 HG23 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -59.35 -38.39 74.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.67 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.535 ' HA ' HD12 ' B' ' 27' ' ' ILE . 95.1 p -73.99 -35.25 64.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.942 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.2 mt -62.93 -42.49 99.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.1 -39.67 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.444 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' B' ' 24' ' ' SER . 21.6 mt -68.17 -41.83 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.862 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.3 -56.6 20.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.344 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.23 -32.53 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.511 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 59.5 ttp -62.08 -45.79 91.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 29.7 tp -78.38 -23.84 46.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.746 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -64.4 -35.23 80.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.209 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.241 -179.734 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.82 0.258 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -69.98 -16.42 63.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -57.95 -51.77 68.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.098 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.1 -35.62 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.207 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.573 HG12 HG12 ' B' ' 9' ' ' VAL . 2.7 t -64.03 -50.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.07 -56.1 19.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.558 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.3 mt -52.84 -36.49 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.426 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -71.65 -40.42 69.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.153 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.16 -56.36 11.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.375 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.22 -46.63 77.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.155 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.8 tp -54.77 -50.83 67.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.832 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.95 -32.83 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.2 tp -67.41 -35.27 78.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.356 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.83 -30.89 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.38 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.0 t -71.6 -31.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.411 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.33 -29.09 66.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.908 0.385 . . . . 0.0 110.314 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.1 m -78.96 -36.98 40.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.683 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -74.21 -41.35 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.962 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.493 HG23 HG21 ' B' ' 23' ' ' ILE . 6.8 tp -61.8 -43.07 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.666 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.8 p -75.15 -29.36 60.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.32 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.8 -52.08 66.59 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.252 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -54.55 -39.46 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.568 HD11 HD13 ' B' ' 27' ' ' ILE . 38.6 mm -72.34 -36.2 54.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.487 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.67 -43.98 93.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.738 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.29 -34.45 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.4 ttm -60.89 -43.9 97.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.743 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.5 tp -77.24 -32.78 56.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.645 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.6 t90 -63.92 -26.46 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.802 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.583 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -58.54 -51.28 70.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.446 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.74 -35.46 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.63 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.573 HG12 HG12 ' A' ' 9' ' ' VAL . 3.3 t -60.7 -49.54 84.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 111.262 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.99 -48.19 87.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.391 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.9 mt -59.96 -35.65 62.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.285 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.5 t -71.83 -38.67 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.053 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.44 -54.64 21.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.41 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.28 -38.84 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.649 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 tp -69.4 -40.65 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.17 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.74 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.365 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -71.51 -39.05 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.753 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.411 ' O ' HG13 ' B' ' 22' ' ' ILE . 98.2 t -64.63 -49.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.002 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.457 ' O ' HG12 ' B' ' 23' ' ' ILE . 33.5 m -64.46 -37.78 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.317 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.1 tp -57.4 -38.26 74.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.824 0.345 . . . . 0.0 110.414 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -71.79 -34.71 69.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 18' ' ' VAL . 72.7 mt -67.83 -38.69 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.493 HG21 HG23 ' A' ' 23' ' ' ILE . 36.1 mm -60.15 -42.53 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.926 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.3 m -66.26 -39.5 89.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.16 -40.62 96.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.12 -41.16 90.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.568 HD13 HD11 ' A' ' 27' ' ' ILE . 31.2 mt -69.92 -39.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.089 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.1 -55.69 30.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.464 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.43 -37.23 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.399 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.2 ttp -58.7 -45.55 89.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.056 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.5 tp -79.21 -23.7 43.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -66.17 -36.39 82.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.064 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.678 -0.169 . . . . 0.0 112.678 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -130.02 -36.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 111.034 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -134.85 -76.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.1 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.3 mt -87.8 142.16 32.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.729 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.59 147.89 77.29 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.496 2.131 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 10' ' ' VAL . 44.9 p90 -62.25 -15.07 44.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.776 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -56.6 -52.16 65.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.3 t -71.95 -35.63 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.607 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' B' ' 9' ' ' VAL . 4.7 t -59.76 -51.21 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 0.0 111.529 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 6' ' ' PHE . 98.0 t -60.54 -58.44 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.686 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.1 mt -51.17 -37.1 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.615 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -72.05 -42.34 66.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.34 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.93 -52.54 55.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.411 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 18' ' ' VAL . 41.8 mm -54.68 -51.81 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.1 tp -55.6 -49.96 71.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.42 -32.04 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 tp -73.35 -31.61 64.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 14' ' ' ILE . 94.1 t -72.45 -44.07 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.486 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 m -64.16 -29.03 46.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.77 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -64.96 -35.63 81.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.023 0.439 . . . . 0.0 109.892 179.606 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.9 m -74.84 -34.17 62.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.341 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.3 mm -67.79 -50.7 57.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.567 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.605 HG23 HG21 ' B' ' 23' ' ' ILE . 19.0 tt -60.88 -33.82 56.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.9 t -73.67 -35.37 65.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.92 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.9 tp -59.12 -41.55 88.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.2 -40.37 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.044 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.549 HD11 HD11 ' B' ' 27' ' ' ILE . 41.7 mt -68.27 -38.95 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.217 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.5 tp -57.76 -54.77 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.164 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -68.42 -37.86 78.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.299 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.2 ttm -56.74 -52.07 66.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp -74.03 -23.78 59.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.648 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -64.81 -24.36 67.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.644 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -104.42 10.14 35.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -116.11 -67.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.735 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -106.59 117.89 55.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.656 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -52.26 148.98 23.61 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.366 2.044 . . . . 0.0 112.419 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -105.65 143.84 33.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.007 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -98.65 126.59 44.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.853 179.842 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.586 -0.206 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -97.24 5.11 50.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.7 m -136.0 -73.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 73.2 mt -70.16 154.64 94.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.709 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.514 ' O ' HG22 ' B' ' 8' ' ' VAL . 35.4 Cg_endo -64.92 154.69 71.88 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.343 2.029 . . . . 0.0 112.156 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -71.5 -17.24 62.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -61.51 -46.34 90.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.779 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.514 HG22 ' O ' ' B' ' 5' ' ' PRO . 23.1 m -59.88 -35.11 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.662 0.268 . . . . 0.0 111.295 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' A' ' 9' ' ' VAL . 2.5 t -64.04 -51.8 64.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -58.62 -52.06 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.371 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.94 -38.85 75.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.376 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -68.35 -38.73 81.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.57 -57.04 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.38 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.45 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.7 tp -57.02 -39.48 66.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.323 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.7 tp -68.81 -34.22 75.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.21 84.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.363 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.39 -33.83 71.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.716 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 14' ' ' ILE . 81.1 t -69.33 -45.47 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.483 ' O ' HG12 ' B' ' 23' ' ' ILE . 35.8 m -70.08 -32.87 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.466 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 62.7 tp -57.57 -43.69 84.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.67 0.272 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.414 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 88.2 m -66.84 -38.1 85.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.318 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.5 -42.02 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.775 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.605 HG21 HG23 ' A' ' 23' ' ' ILE . 47.4 mm -59.82 -38.57 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.963 0.411 . . . . 0.0 110.358 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -72.65 -35.36 67.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.278 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 21' ' ' THR . 91.4 mt -65.77 -33.65 76.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.39 -40.81 87.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.549 HD11 HD11 ' A' ' 27' ' ' ILE . 8.1 mt -68.13 -40.78 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.89 -54.35 48.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.29 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.75 -36.67 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.448 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.9 ttp -60.12 -44.92 94.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 46.9 tp -77.43 -23.86 50.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.626 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -68.31 -32.09 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -104.61 -9.06 18.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt 58.44 -85.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.398 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -73.53 143.64 82.6 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.25 167.85 5.54 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.406 2.071 . . . . 0.0 111.987 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -114.95 136.75 52.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -128.86 150.45 50.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.657 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 C--O 1.256 1.437 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.016 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.602 -0.199 . . . . 0.0 112.602 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 59.37 98.55 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.906 0.384 . . . . 0.0 110.99 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -100.82 145.42 28.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.4 mm? -76.3 145.67 76.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.45 153.88 75.38 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.536 2.157 . . . . 0.0 112.406 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 10' ' ' VAL . 40.4 p90 -63.23 -15.24 56.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -56.89 -53.44 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.43 -35.75 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.523 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.616 HG11 HG22 ' B' ' 10' ' ' VAL . 42.4 t -59.66 -49.58 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.77 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.606 HG22 HG21 ' B' ' 9' ' ' VAL . 90.0 t -64.02 -52.49 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.638 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.14 -36.41 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.303 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -72.16 -39.83 68.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.012 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.56 -54.2 39.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.19 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 18' ' ' VAL . 77.2 mt -55.83 -49.12 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.166 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.3 tp -54.79 -49.2 71.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.28 -30.71 71.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.006 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 tp -73.07 -32.02 64.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.676 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 14' ' ' ILE . 90.7 t -72.47 -48.61 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.121 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 23' ' ' ILE . 7.1 p -60.27 -34.11 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.553 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.2 tm? -57.67 -43.45 85.03 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.9 m -68.21 -32.32 72.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.422 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mm -67.91 -39.16 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.742 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.438 HG13 HD11 ' B' ' 20' ' ' LEU . 47.6 mm -64.76 -48.99 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.1 p -69.43 -23.55 63.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.307 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -66.39 -47.82 72.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.383 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.4 mm -61.41 -39.72 83.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 23' ' ' ILE . 35.7 mm -70.28 -36.61 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.302 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 tp -56.98 -50.48 72.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.319 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.449 HD12 ' N ' ' A' ' 29' ' ' ILE . 2.2 mp -73.79 -39.01 51.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.246 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.8 ttp -57.89 -42.13 84.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 110.735 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.9 tp -79.66 -24.96 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.028 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -66.02 -26.72 67.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.545 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.51 9.7 37.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.753 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -114.44 143.69 44.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.525 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -64.02 113.49 10.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.89 158.45 20.86 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.263 1.976 . . . . 0.0 112.138 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -130.45 122.7 28.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -78.26 154.81 30.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -99.99 -30.49 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.75 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.5 m -60.99 -25.07 66.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.569 HD12 ' HD2' ' B' ' 5' ' ' PRO . 40.6 tp -84.66 124.07 73.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.569 ' HD2' HD12 ' B' ' 4' ' ' LEU . 53.2 Cg_exo -53.61 133.96 56.06 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.234 1.956 . . . . 0.0 112.07 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.532 ' O ' HG23 ' B' ' 10' ' ' VAL . 1.9 p90 -71.4 -15.95 62.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.261 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -66.43 -40.74 89.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.48 HG22 ' O ' ' B' ' 5' ' ' PRO . 29.1 m -71.92 -35.82 55.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.606 HG21 HG22 ' A' ' 10' ' ' VAL . 10.8 p -69.32 -36.79 73.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.616 HG22 HG11 ' A' ' 9' ' ' VAL . 98.9 t -67.44 -42.59 87.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.84 0.352 . . . . 0.0 110.693 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 89.6 mt -66.69 -36.43 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 72.7 m -69.29 -38.96 78.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.783 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -65.77 -54.24 29.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.457 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.419 HG23 ' N ' ' B' ' 15' ' ' LEU . 9.5 tp -59.37 -42.47 87.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.16 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.419 ' N ' HG23 ' B' ' 14' ' ' ILE . 60.6 tp -69.52 -27.59 65.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.048 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.95 -35.14 66.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.835 0.35 . . . . 0.0 110.577 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.94 -41.3 91.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.006 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.484 ' O ' HG12 ' B' ' 23' ' ' ILE . 26.3 m -75.62 -38.68 38.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.3 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 23' ' ' ILE . 42.0 tp -59.11 -29.87 67.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.76 0.314 . . . . 0.0 110.619 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -78.31 -40.42 36.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.493 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 98.1 mt -68.3 -37.57 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.484 HG12 ' O ' ' B' ' 19' ' ' VAL . 31.0 mm -58.89 -42.92 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 79.0 p -73.09 -34.56 66.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.309 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.53 -40.27 96.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.86 -43.76 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.432 HG12 ' O ' ' B' ' 23' ' ' ILE . 40.5 mm -67.65 -37.43 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.11 -53.71 55.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.065 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.58 -34.06 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.9 ttp -58.96 -41.09 86.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 50.1 tp -82.19 -24.64 34.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -68.3 -33.32 74.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.017 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -99.94 10.53 41.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -56.57 -39.3 73.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.53 118.41 62.28 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.0 137.99 70.46 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.377 2.051 . . . . 0.0 112.061 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -129.27 140.44 51.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.732 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -115.34 137.05 52.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.864 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -94.67 -69.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.749 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 m -129.32 142.56 50.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.1 tp -97.08 106.58 32.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' O ' HG23 ' A' ' 9' ' ' VAL . 36.5 Cg_endo -64.67 148.43 90.28 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.462 2.108 . . . . 0.0 112.162 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' HG23 ' A' ' 10' ' ' VAL . 37.9 p90 -64.16 -16.1 61.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -57.52 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -72.12 -36.08 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.769 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.613 HG12 HG12 ' B' ' 9' ' ' VAL . 2.4 t -62.23 -52.16 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.591 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 6' ' ' PHE . 88.7 t -57.93 -55.75 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.9 mt -55.49 -35.59 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.679 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -70.98 -43.39 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.82 -52.39 60.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.338 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 18' ' ' VAL . 82.9 mt -57.46 -49.52 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.171 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 tp -53.5 -52.44 59.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.56 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.4 tp -72.23 -31.54 65.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.638 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 14' ' ' ILE . 84.6 t -72.97 -45.9 53.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.231 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 23' ' ' ILE . 34.2 m -64.09 -30.79 50.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.241 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -58.68 -40.26 83.05 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.582 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.5 m -70.65 -33.38 70.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.664 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -70.53 -36.77 67.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.879 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.548 HG21 HG23 ' B' ' 23' ' ' ILE . 36.4 mm -63.89 -45.96 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.014 0.435 . . . . 0.0 110.634 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.9 t -73.62 -25.9 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.295 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.8 tp -64.6 -46.38 82.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.241 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -62.73 -39.45 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.198 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.5 HD11 HD13 ' B' ' 27' ' ' ILE . 40.4 mm -72.05 -36.48 57.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.449 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.06 -42.83 86.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.797 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mm -79.29 -37.02 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.041 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.453 ' HG2' ' NZ ' ' A' ' 34' ' ' LYS . 48.6 ttm -59.06 -44.89 91.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.714 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.494 HD11 ' HE2' ' A' ' 35' ' ' LYS . 37.4 tp -75.67 -30.59 59.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.43 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -61.18 -32.4 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.497 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -105.39 8.31 33.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.78 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' NZ ' ' HG2' ' A' ' 30' ' ' MET . 5.1 ttmp? -93.28 -41.45 9.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.494 ' HE2' HD11 ' A' ' 31' ' ' LEU . 68.4 mttm -100.77 132.27 22.42 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.756 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.26 161.58 16.27 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.637 2.224 . . . . 0.0 112.725 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -131.32 145.73 51.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.675 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -126.38 114.78 18.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.234 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.351 179.521 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -110.2 -10.39 14.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -110.09 123.54 49.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -96.51 148.76 34.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.711 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.48 ' O ' HG22 ' B' ' 8' ' ' VAL . 30.1 Cg_endo -63.41 152.63 79.12 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.421 2.081 . . . . 0.0 112.322 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -71.64 -16.22 62.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -57.9 -50.93 71.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.496 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.48 HG22 ' O ' ' B' ' 5' ' ' PRO . 28.7 m -59.3 -35.49 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.268 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.613 HG12 HG12 ' A' ' 9' ' ' VAL . 6.4 t -61.61 -51.54 71.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.881 0.372 . . . . 0.0 111.008 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.17 -54.14 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.61 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.8 mt -57.84 -37.35 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.326 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -70.32 -38.4 74.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.182 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -66.26 -55.89 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.59 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.426 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.3 tt -60.63 -38.64 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.384 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.1 -33.23 73.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.668 0.271 . . . . 0.0 110.982 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.16 -32.07 73.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -73.58 -33.49 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.614 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 14' ' ' ILE . 60.6 t -70.24 -41.07 78.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 31.5 m -73.71 -27.09 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.263 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 tp -71.59 -26.47 62.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.818 0.342 . . . . 0.0 110.494 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.418 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 88.2 m -83.74 -35.94 24.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.427 ' O ' HG13 ' B' ' 26' ' ' ILE . 97.8 mt -73.34 -40.36 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.707 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.548 HG23 HG21 ' A' ' 23' ' ' ILE . 18.6 tt -61.82 -36.05 71.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.406 ' HA ' HD12 ' B' ' 27' ' ' ILE . 83.8 p -74.07 -37.54 64.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.884 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 21' ' ' THR . 60.2 mt -61.55 -41.77 97.86 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 22' ' ' ILE . 85.5 mt -56.34 -39.62 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.015 0.436 . . . . 0.0 110.25 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.5 HD13 HD11 ' A' ' 27' ' ' ILE . 38.8 mt -68.71 -39.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.703 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -55.85 29.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.939 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.55 -32.02 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.091 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 32.0 ttm -58.73 -47.05 85.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.057 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.1 tp -81.89 -23.82 36.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -65.69 -35.4 80.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -100.61 10.04 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -138.51 104.62 5.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.981 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -108.99 117.78 52.93 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.21 126.21 11.52 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.231 1.954 . . . . 0.0 112.418 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.591 ' HD3' ' H ' ' B' ' 37' ' ' ARG . 0.0 OUTLIER -55.83 150.74 12.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.786 179.8 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -110.78 127.93 55.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.857 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -153.46 178.58 9.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.72 0.295 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -89.52 148.18 23.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.054 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.6 mt -85.01 149.92 54.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.67 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.1 166.06 11.37 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.659 2.239 . . . . 0.0 112.271 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 10' ' ' VAL . 52.8 p90 -70.61 -16.42 62.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.25 -48.61 78.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.547 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.31 -35.77 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.447 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.561 HG12 HG12 ' B' ' 9' ' ' VAL . 2.6 t -62.6 -46.42 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.51 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 6' ' ' PHE . 95.7 t -64.15 -52.13 60.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.982 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -57.85 -41.77 80.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.752 0.311 . . . . 0.0 111.492 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -69.12 -38.82 79.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.249 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -66.99 -57.21 7.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.507 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -54.86 -47.08 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.513 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 tp -54.47 -38.0 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.16 89.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.63 -35.05 79.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.083 0.468 . . . . 0.0 110.446 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.82 -38.43 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.557 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.7 t -67.03 -43.3 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.416 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -57.9 -38.92 76.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.476 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -67.52 -34.71 77.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.97 -36.78 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.944 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.502 HG21 HG23 ' B' ' 23' ' ' ILE . 37.2 mm -63.39 -47.01 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.557 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 t -73.4 -24.14 60.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.635 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.76 -58.98 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 0.0 111.193 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.3 mt -54.19 -39.58 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.556 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.452 HD11 HD13 ' B' ' 27' ' ' ILE . 49.7 mm -70.45 -36.8 68.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.274 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 tp -57.83 -45.77 85.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.748 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.8 mt -78.52 -32.82 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.0 ttm -59.11 -42.95 91.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.307 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.9 tp -80.11 -25.74 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.245 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -62.67 -30.89 71.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.66 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -105.15 4.89 31.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -93.81 -38.6 11.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.49 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -116.26 118.88 37.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.693 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.08 159.43 26.03 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.407 2.071 . . . . 0.0 112.105 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -88.98 143.01 27.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -145.5 140.49 27.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.811 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--O 1.233 0.211 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.233 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -109.44 121.7 45.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.807 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 47.5 t -103.41 136.92 42.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.468 ' HB3' HG21 ' B' ' 8' ' ' VAL . 10.6 mp -91.4 153.47 44.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.462 ' O ' HG22 ' B' ' 8' ' ' VAL . 41.6 Cg_endo -67.31 169.02 16.28 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.379 2.053 . . . . 0.0 112.157 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -71.49 -17.29 62.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -60.37 -53.26 59.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.5 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.468 HG21 ' HB3' ' B' ' 4' ' ' LEU . 34.1 m -58.38 -35.18 52.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.233 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.561 HG12 HG12 ' A' ' 9' ' ' VAL . 3.5 t -63.48 -47.26 92.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.321 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.48 -52.64 58.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.35 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -59.62 -37.18 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.122 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.1 m -69.77 -38.83 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.847 0.356 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -64.91 -55.07 21.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.516 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.411 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.5 tt -62.76 -41.66 93.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.618 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 tp -65.65 -33.32 75.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 110.768 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.71 84.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.4 -33.83 67.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.566 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.482 ' O ' HG12 ' B' ' 22' ' ' ILE . 71.6 t -67.05 -45.32 87.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.891 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.47 -31.29 42.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.374 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.416 ' CD1' HG13 ' A' ' 23' ' ' ILE . 42.2 tp -62.33 -31.48 72.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.826 0.346 . . . . 0.0 110.453 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.4 m -79.25 -36.04 40.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.297 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.482 HG12 ' O ' ' B' ' 18' ' ' VAL . 47.0 mm -66.66 -50.43 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.513 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.502 HG23 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -57.67 -32.3 42.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.555 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 37.9 t -73.22 -41.62 63.55 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.026 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.09 -39.58 95.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.119 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -57.98 -39.74 73.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.452 HD13 HD11 ' A' ' 27' ' ' ILE . 45.0 mt -66.3 -45.8 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.046 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.3 tp -57.63 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.399 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.82 -32.33 51.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.265 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 55.6 ttp -64.65 -47.5 78.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.6 tp -75.53 -23.95 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.724 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -68.46 -35.29 77.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.187 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -94.53 10.51 34.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -132.5 113.42 13.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.019 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -92.2 152.04 42.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.694 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.38 153.23 77.48 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.338 2.025 . . . . 0.0 112.036 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -98.0 145.31 26.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -123.21 125.06 44.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.898 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.13 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -63.98 145.96 54.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.326 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.521 ' HB2' HD22 ' A' ' 4' ' ' LEU . 67.1 m -101.66 -43.84 5.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' A' ' 3' ' ' SER . 1.6 mm? -114.11 101.27 53.89 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.827 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' VAL . 26.0 Cg_exo -62.96 166.92 13.12 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.416 2.077 . . . . 0.0 112.246 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 10' ' ' VAL . 44.1 p90 -62.38 -15.7 50.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.06 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -56.88 -52.68 64.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.506 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.98 -35.46 54.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.705 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' B' ' 9' ' ' VAL . 2.7 t -61.33 -53.31 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.684 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 6' ' ' PHE . 99.2 t -59.52 -53.68 44.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.062 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -54.62 -41.62 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.657 0.265 . . . . 0.0 111.589 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -70.2 -39.55 75.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.44 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.9 -54.91 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.557 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.6 mt -54.7 -50.5 59.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.402 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.51 -36.05 66.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' B' ' 16' ' ' ALA . . . -66.12 -32.47 73.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.01 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.15 -31.85 64.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 22' ' ' ILE . 60.8 t -69.14 -48.19 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 23' ' ' ILE . 35.8 m -62.66 -33.44 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.533 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -58.61 -36.31 73.84 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -76.52 -34.2 58.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.483 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 18' ' ' VAL . 49.9 mm -65.93 -41.73 90.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.704 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.551 HG13 HD11 ' B' ' 20' ' ' LEU . 35.6 mm -69.85 -38.2 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -73.07 -27.95 62.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.5 tp -65.84 -37.53 86.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.703 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.1 mm -67.71 -40.53 84.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.578 HD11 HD11 ' B' ' 27' ' ' ILE . 20.2 mt -70.4 -37.3 70.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.053 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.06 -47.78 83.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.115 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.3 mm -76.91 -36.67 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.34 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.1 ttm -59.66 -42.68 93.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.725 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -80.63 -27.49 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.484 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -63.5 -31.74 72.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -104.33 10.55 35.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -97.3 -56.34 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.763 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HB3' ' HD2' ' A' ' 36' ' ' PRO . 27.8 mtpp -85.54 156.38 59.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.54 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 35' ' ' LYS . 19.2 Cg_endo -57.9 135.08 66.65 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.447 2.098 . . . . 0.0 112.375 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -70.6 144.26 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -102.9 155.08 18.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.939 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.89 179.852 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 59.53 93.07 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.729 0.299 . . . . 0.0 111.149 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t 60.39 105.6 0.02 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' B' ' 5' ' ' PRO . 77.8 mt -109.89 137.78 20.55 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.579 ' HB2' ' HG2' ' B' ' 7' ' ' LYS . 35.8 Cg_exo -62.35 150.43 87.21 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.542 2.161 . . . . 0.0 112.333 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.408 ' HD1' ' H ' ' B' ' 6' ' ' PHE . 3.0 p90 -71.37 -19.47 62.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.711 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.579 ' HG2' ' HB2' ' B' ' 5' ' ' PRO . 20.1 ptpt -65.92 -25.41 67.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.572 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.42 -35.78 76.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.682 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' A' ' 9' ' ' VAL . 3.4 t -71.57 -47.12 59.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.847 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -57.89 -53.58 43.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.252 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.14 -33.64 47.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.942 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -70.77 -39.2 73.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.73 -53.61 38.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.299 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.473 ' O ' HG23 ' B' ' 18' ' ' VAL . 32.3 mm -57.59 -53.43 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.25 -34.92 74.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.394 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' A' ' 16' ' ' ALA . . . -64.28 -40.77 96.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.504 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.93 -31.76 66.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.452 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 14' ' ' ILE . 69.1 t -68.37 -41.56 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.856 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.55 ' O ' HG12 ' B' ' 23' ' ' ILE . 32.7 m -76.13 -35.15 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.46 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.551 HD11 HG13 ' A' ' 23' ' ' ILE . 58.0 tp -57.28 -37.85 73.04 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.704 0.287 . . . . 0.0 110.533 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.413 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 51.6 m -71.75 -29.78 64.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.947 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.429 ' O ' HG13 ' B' ' 26' ' ' ILE . 97.0 mt -72.97 -37.39 53.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.712 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.55 HG12 ' O ' ' B' ' 19' ' ' VAL . 37.2 mm -62.61 -40.18 87.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.844 0.354 . . . . 0.0 110.36 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 82.7 p -73.36 -38.74 65.6 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.511 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 21' ' ' THR . 54.2 mt -59.3 -39.69 83.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.715 0.293 . . . . 0.0 110.966 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 22' ' ' ILE . 90.7 mt -62.13 -40.46 87.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.578 HD11 HD11 ' A' ' 27' ' ' ILE . 31.7 mt -65.8 -42.87 93.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.729 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.43 -59.23 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.164 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.4 mt -62.3 -32.87 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 36.0 ttm -58.93 -50.67 73.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.5 tp -76.67 -23.59 53.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.318 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 t90 -69.45 -38.78 77.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -89.26 10.18 23.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.968 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -73.74 -40.68 63.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.724 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -68.06 149.16 98.27 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.629 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.28 144.57 37.21 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.445 2.096 . . . . 0.0 112.488 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -91.44 135.07 34.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.667 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -151.68 143.09 23.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.057 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.448 -0.786 . . . . 0.0 110.829 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -107.27 115.84 30.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.962 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 m -144.26 -12.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 4' ' ' LEU . 7.1 mp -105.43 150.59 39.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.044 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.43 165.86 21.25 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.581 2.187 . . . . 0.0 112.233 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 10' ' ' VAL . 46.9 p90 -71.14 -17.43 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.99 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -59.08 -47.81 83.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.23 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.1 -35.87 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.099 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 t -64.19 -49.61 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.584 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.588 HG22 HG21 ' B' ' 9' ' ' VAL . 91.0 t -61.13 -54.8 30.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.409 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -53.98 -35.81 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.282 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -72.25 -40.15 67.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.021 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -64.37 -56.67 12.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.415 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 18' ' ' VAL . 68.1 mt -55.27 -45.1 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -56.71 -49.26 75.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.1 71.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.086 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.84 -31.96 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 14' ' ' ILE . 96.1 t -73.21 -45.93 51.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.42 -30.62 49.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.056 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.6 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -59.74 -37.23 78.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.95 0.405 . . . . 0.0 110.169 179.697 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 m -75.83 -30.19 58.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.587 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mm -69.06 -44.58 81.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.859 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.584 HG13 HD11 ' B' ' 20' ' ' LEU . 49.8 mm -64.38 -43.11 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.24 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.2 p -72.75 -24.4 60.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.195 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.85 -53.65 25.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mt -56.18 -39.85 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.545 HD11 HD13 ' B' ' 27' ' ' ILE . 46.1 mm -69.73 -36.77 71.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.44 -49.45 77.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.753 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.4 mm -72.19 -31.89 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.4 ttm -62.36 -47.51 83.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.805 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.74 -35.14 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -62.38 -30.31 71.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.361 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -102.57 -0.23 32.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.656 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 60.9 -85.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.297 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -63.22 154.89 76.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.016 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.04 162.88 4.82 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.391 2.06 . . . . 0.0 112.133 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -87.23 129.02 35.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -153.6 121.25 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.798 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -85.86 105.66 16.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -73.93 176.97 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 61.5 mt -115.83 116.91 40.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.597 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.402 ' HB2' HG23 ' B' ' 8' ' ' VAL . 51.8 Cg_exo -53.93 168.45 0.83 Allowed 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.278 1.986 . . . . 0.0 112.605 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.415 ' O ' HG23 ' B' ' 10' ' ' VAL . 17.4 t80 -64.28 -53.06 54.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.579 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -70.12 -34.15 72.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.761 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' B' ' 5' ' ' PRO . 46.9 t -72.18 -40.16 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.588 HG21 HG22 ' A' ' 10' ' ' VAL . 10.1 p -67.64 -37.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 6' ' ' PHE . 89.6 t -66.13 -42.96 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 111.089 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -70.36 -32.46 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -71.33 -38.43 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -66.95 -56.45 10.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.354 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.407 ' O ' HG23 ' B' ' 18' ' ' VAL . 7.8 tp -56.13 -40.64 65.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.501 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.458 ' O ' HG23 ' B' ' 19' ' ' VAL . 53.3 tp -69.41 -40.32 77.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.18 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.06 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.68 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.95 -36.85 80.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 14' ' ' ILE . 84.4 t -69.55 -38.21 76.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.6 HG12 HD21 ' A' ' 20' ' ' LEU . 88.8 t -67.02 -45.95 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.299 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.584 HD11 HG13 ' A' ' 23' ' ' ILE . 33.7 tp -57.63 -37.07 72.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.847 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.431 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 91.2 m -65.7 -42.57 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.258 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.421 ' O ' HG13 ' B' ' 26' ' ' ILE . 46.6 mm -65.77 -44.5 93.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.45 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.452 HG12 ' O ' ' B' ' 19' ' ' VAL . 28.9 mm -56.62 -37.96 55.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.531 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -71.28 -41.46 69.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.243 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 21' ' ' THR . 97.0 mt -61.2 -39.32 89.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.227 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 22' ' ' ILE . 81.2 mt -59.5 -45.64 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.369 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.545 HD13 HD11 ' A' ' 27' ' ' ILE . 41.7 mt -65.86 -39.88 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.316 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.1 -57.66 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.317 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mt -64.93 -32.42 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.282 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.0 ttp -61.88 -46.88 87.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.015 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 42.6 tp -79.18 -23.68 43.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -67.3 -34.66 77.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -98.37 -8.23 27.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.991 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -85.13 96.9 9.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 110.538 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -98.62 135.26 21.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.948 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.14 122.46 9.3 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.446 2.097 . . . . 0.0 112.219 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -116.87 130.37 56.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -115.7 142.69 46.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.291 -0.862 . . . . 0.0 110.905 -179.925 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -94.72 -65.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.679 0.276 . . . . 0.0 111.016 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t 57.79 92.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.038 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.575 HD12 ' H ' ' A' ' 4' ' ' LEU . 5.9 mp -62.62 123.39 79.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.48 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HG2' HG23 ' A' ' 8' ' ' VAL . 28.6 Cg_endo -62.25 152.75 74.51 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.356 2.037 . . . . 0.0 112.23 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -68.58 -19.9 64.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -59.69 -45.13 93.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.467 HG23 ' HG2' ' A' ' 5' ' ' PRO . 59.9 t -62.17 -36.03 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.676 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG12 ' B' ' 9' ' ' VAL . 3.3 t -65.26 -42.54 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.811 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.71 -50.94 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.609 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.3 mt -57.57 -37.65 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.85 0.357 . . . . 0.0 111.246 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -72.1 -38.73 69.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -55.74 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.318 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.3 mt -54.89 -48.56 74.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.271 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 tp -57.05 -34.36 68.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.682 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' B' ' 16' ' ' ALA . . . -66.48 -32.61 74.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.182 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.43 -31.83 65.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.737 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 22' ' ' ILE . 48.3 t -68.78 -48.24 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.311 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.6 m -64.13 -31.83 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.74 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -68.03 -32.71 73.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 109.968 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.8 m -78.14 -35.09 49.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.513 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 18' ' ' VAL . 46.8 mm -69.64 -44.73 79.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.593 HG23 HG21 ' B' ' 23' ' ' ILE . 17.3 tt -64.65 -36.86 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -73.57 -32.01 63.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.03 -37.59 87.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -65.2 -40.85 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.507 HD11 HD11 ' B' ' 27' ' ' ILE . 43.6 mt -69.34 -36.68 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.46 -55.4 35.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.157 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -68.79 -38.42 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.512 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.3 ttm -57.73 -51.47 69.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.902 0.382 . . . . 0.0 110.556 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.572 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 36.8 tp -70.92 -26.06 63.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.681 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -68.62 -18.85 64.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -101.62 10.62 40.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.354 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.572 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 18.8 ptpt -141.85 -2.51 1.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.121 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -90.36 133.73 32.56 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.645 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.47 133.64 58.23 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.314 2.01 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -86.0 140.49 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -134.41 123.02 23.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.806 179.918 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -103.77 -58.88 1.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.33 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.0 t -71.11 139.11 50.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 70.4 mt -92.2 148.37 36.52 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.458 ' O ' HG22 ' B' ' 8' ' ' VAL . 40.2 Cg_endo -65.88 167.65 17.18 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.562 2.175 . . . . 0.0 112.272 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -71.61 -16.68 62.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -58.11 -51.22 70.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.222 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.458 HG22 ' O ' ' B' ' 5' ' ' PRO . 26.8 m -62.78 -35.02 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.476 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.519 HG12 HG12 ' A' ' 9' ' ' VAL . 2.8 t -62.2 -51.2 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.777 0.322 . . . . 0.0 111.292 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.38 -48.33 89.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.469 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.96 -37.93 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.455 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 40.8 t -71.14 -38.58 72.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.203 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.11 75.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.66 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.456 ' O ' HG23 ' B' ' 18' ' ' VAL . 20.2 tt -71.23 -38.01 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.621 0.248 . . . . 0.0 111.597 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 tp -68.08 -38.65 82.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.426 ' CB ' ' HB1' ' A' ' 16' ' ' ALA . . . -63.63 -36.05 82.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.396 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.83 -32.22 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.956 0.408 . . . . 0.0 110.469 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 14' ' ' ILE . 59.4 t -69.32 -42.99 81.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.695 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.489 ' O ' HG12 ' B' ' 23' ' ' ILE . 30.1 m -73.47 -31.77 34.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.379 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.59 -42.1 82.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.811 0.338 . . . . 0.0 110.466 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 62.7 m -68.2 -30.29 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.267 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.447 ' O ' HG13 ' B' ' 26' ' ' ILE . 82.6 mt -73.7 -39.64 53.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.751 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.593 HG21 HG23 ' A' ' 23' ' ' ILE . 49.2 mm -61.52 -39.56 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.422 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 87.4 p -73.05 -38.25 66.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.966 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.33 -40.17 89.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 22' ' ' ILE . 90.0 mt -60.76 -39.72 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 27' ' ' ILE . 21.8 mt -65.94 -39.64 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.908 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.2 -58.26 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.209 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 21.4 mm -60.67 -37.81 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.36 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 37.6 ttm -57.79 -51.19 70.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.039 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 35.2 tp -75.08 -23.41 58.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -66.29 -39.17 89.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.289 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -96.83 2.44 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.283 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -87.21 -50.53 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.666 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.493 ' HD2' ' HD2' ' B' ' 36' ' ' PRO . 27.9 tptp -83.31 117.1 67.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.744 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.493 ' HD2' ' HD2' ' B' ' 35' ' ' LYS . 60.7 Cg_endo -73.1 161.06 44.23 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.3 2.0 . . . . 0.0 112.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -107.6 123.49 48.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -94.12 140.68 29.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.807 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -119.27 148.65 42.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -102.34 139.07 38.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.3 mm? -82.75 145.87 51.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 28.4 Cg_exo -61.95 166.08 13.03 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.668 2.246 . . . . 0.0 112.196 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' O ' HG23 ' A' ' 10' ' ' VAL . 40.0 p90 -65.13 -17.35 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 7' ' ' LYS . 5.7 mtpm? -59.32 -48.57 81.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.219 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.18 -35.57 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.188 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.498 HG12 HG12 ' B' ' 9' ' ' VAL . 2.5 t -63.47 -44.83 98.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.249 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 6' ' ' PHE . 92.8 t -67.54 -54.73 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.676 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.8 mt -53.28 -38.27 30.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.383 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -71.39 -41.2 69.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.055 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.83 -57.13 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.484 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -55.25 -46.03 77.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.045 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 19' ' ' VAL . 56.2 tp -55.04 -39.51 69.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.789 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.89 95.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.243 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.6 mm? -61.84 -36.83 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.615 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 22' ' ' ILE . 64.2 t -65.13 -43.02 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.716 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.544 HG12 HD21 ' B' ' 20' ' ' LEU . 79.8 t -63.03 -41.87 94.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.509 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.4 tm? -57.42 -41.56 80.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 110.325 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -64.42 -33.46 75.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 18' ' ' VAL . 48.7 mm -70.49 -45.17 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.842 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.721 HG21 HG23 ' B' ' 23' ' ' ILE . 42.8 mm -61.69 -46.4 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -67.75 -31.73 71.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.39 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.84 -46.72 86.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.984 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.0 mt -61.21 -39.23 81.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.516 HD11 HD11 ' B' ' 27' ' ' ILE . 49.8 mt -66.89 -39.28 83.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.022 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.68 -45.57 93.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.172 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.37 -43.07 50.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.374 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.6 ttm -58.78 -39.09 80.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.1 tp -81.14 -29.26 34.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.527 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.1 t90 -63.0 -32.27 73.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.462 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -105.4 -12.61 15.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.774 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt 60.87 13.7 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.803 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -109.76 152.53 42.96 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.95 143.12 25.81 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.501 2.134 . . . . 0.0 112.305 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -126.09 139.62 53.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.748 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -127.94 154.09 45.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.131 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.365 -0.294 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 80.3 m80 57.36 -168.29 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.735 0.302 . . . . 0.0 110.969 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t 59.29 -172.07 0.11 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.46 HD12 ' N ' ' B' ' 4' ' ' LEU . 5.8 mp -85.66 142.12 36.85 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.493 ' O ' HG22 ' B' ' 8' ' ' VAL . 26.8 Cg_exo -62.35 133.05 41.25 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -71.63 -19.08 62.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -57.9 -50.45 73.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.319 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.493 HG22 ' O ' ' B' ' 5' ' ' PRO . 32.9 m -61.52 -35.27 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.518 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.498 HG12 HG12 ' A' ' 9' ' ' VAL . 3.5 t -63.8 -50.16 78.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.779 0.323 . . . . 0.0 111.084 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -59.32 -48.05 88.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.525 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.41 -36.29 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.308 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -69.57 -39.03 77.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.94 -56.29 10.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.321 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.454 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.3 tp -56.43 -41.25 71.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.404 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 tp -69.17 -35.95 76.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.217 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.42 87.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.336 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.68 -32.49 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.838 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 14' ' ' ILE . 96.9 t -68.7 -43.33 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.129 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.71 -21.77 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.605 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.544 HD21 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -68.77 -34.0 74.83 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.936 0.398 . . . . 0.0 110.471 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 44.5 m -80.75 -36.97 31.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.519 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.72 -39.68 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.721 HG23 HG21 ' A' ' 23' ' ' ILE . 19.2 tt -65.27 -36.42 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 78.6 p -74.03 -39.7 63.38 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 46.2 mt -58.64 -36.8 74.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.02 -39.79 79.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.371 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.516 HD11 HD11 ' A' ' 27' ' ' ILE . 20.6 mt -66.67 -43.87 90.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.833 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.4 tp -56.57 -58.11 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.3 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.0 -37.39 78.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.316 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.6 ttp -61.67 -40.6 95.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.771 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -82.02 -23.51 35.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -69.09 -31.66 70.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.569 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -100.65 10.04 41.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.499 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.6 -62.29 1.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.855 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -103.0 113.06 66.16 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.43 121.89 5.82 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.409 2.073 . . . . 0.0 112.454 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' B' ' 37' ' ' ARG . 5.4 mpt_? -84.29 139.2 32.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.064 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -87.67 141.6 28.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.676 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.375 -0.822 . . . . 0.0 110.84 -179.866 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -113.48 124.93 53.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.2 m -95.44 -55.73 2.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.795 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.2 tp -113.5 96.43 40.08 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.804 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.99 133.06 32.08 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.382 2.055 . . . . 0.0 112.24 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.417 ' O ' HG23 ' A' ' 10' ' ' VAL . 48.8 p90 -67.4 -15.95 63.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.746 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.51 -52.58 64.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.206 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.61 -35.85 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.346 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.428 HG11 HG22 ' B' ' 10' ' ' VAL . 61.9 t -60.41 -51.84 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.633 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.467 HG22 HG21 ' B' ' 9' ' ' VAL . 73.6 t -63.26 -48.64 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.833 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.0 mt -58.71 -38.06 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.426 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -71.27 -38.64 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.046 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.66 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -66.04 -57.34 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.451 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.6 mt -54.6 -41.92 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.09 -38.04 81.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.07 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.47 86.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.064 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.4 -40.13 96.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.09 -34.68 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.468 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.7 t -72.09 -39.98 66.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.396 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -57.59 -38.05 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.108 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -71.13 -44.74 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.89 -42.37 92.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.638 HG13 HD11 ' B' ' 20' ' ' LEU . 39.1 mm -65.55 -43.01 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 t -73.52 -19.51 60.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.317 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.1 tp -76.65 -54.58 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.484 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mt -57.11 -39.81 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.348 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 tp -71.52 -36.23 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.0 tp -58.15 -47.86 82.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.609 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.9 mm -71.2 -32.09 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.796 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.59 -46.25 90.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.0 tp -76.99 -27.06 54.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.4 t90 -64.09 -28.45 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -102.59 10.31 38.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.238 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -120.51 161.97 20.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.737 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -79.66 113.43 37.28 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.69 149.53 73.53 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.394 2.063 . . . . 0.0 112.755 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -98.73 118.33 35.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.648 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -93.02 119.67 32.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.077 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.007 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.594 -0.202 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -116.32 -43.93 2.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.783 0.325 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -95.71 -70.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.4 mt -119.96 152.42 54.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.792 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.58 118.42 5.52 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.406 2.07 . . . . 0.0 112.535 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.493 ' O ' HG23 ' B' ' 10' ' ' VAL . 2.3 p90 -71.76 -16.58 62.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.81 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -65.47 -30.2 70.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.108 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 t -72.55 -42.94 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.79 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.467 HG21 HG22 ' A' ' 10' ' ' VAL . 11.3 p -69.72 -33.95 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.767 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 6' ' ' PHE . 71.0 t -66.7 -51.65 53.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.737 0.304 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.62 -34.11 65.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -70.07 -38.42 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.66 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -61.83 -57.03 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.54 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.438 ' O ' HG23 ' B' ' 18' ' ' VAL . 16.4 tt -59.64 -42.22 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.467 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 tp -65.88 -28.76 69.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.82 89.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.301 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.78 -32.8 63.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 14' ' ' ILE . 91.3 t -67.11 -42.91 88.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.472 ' O ' HG12 ' B' ' 23' ' ' ILE . 29.2 m -72.15 -34.45 49.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.301 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.638 HD11 HG13 ' A' ' 23' ' ' ILE . 55.5 tp -58.2 -41.29 83.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.945 0.403 . . . . 0.0 110.481 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.4 m -68.06 -35.72 78.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.68 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -70.68 -37.73 70.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.472 HG12 ' O ' ' B' ' 19' ' ' VAL . 32.6 mm -61.63 -39.1 81.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 110.227 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.2 t -73.28 -37.54 66.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.27 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.57 -42.37 95.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.295 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 98.4 mt -60.46 -39.58 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.892 0.377 . . . . 0.0 110.992 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 82.8 mt -72.92 -37.31 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.307 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.71 -54.18 46.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mt -64.53 -37.01 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.396 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.2 ttp -59.34 -49.63 77.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.988 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 tp -71.13 -27.85 63.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 60.5 t90 -72.74 -22.95 60.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -81.12 8.93 7.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.017 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -95.71 126.06 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -93.04 153.98 41.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.89 165.36 26.26 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.301 2.001 . . . . 0.0 112.263 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' B' ' 37' ' ' ARG . 6.2 tpm_? -89.27 109.44 20.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.628 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -82.71 139.02 33.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.977 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' B' ' 39' ' ' GLU . 8.3 pt-20 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.613 -0.195 . . . . 0.0 112.613 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -118.4 -2.18 11.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -93.58 -2.16 54.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.6 tp -119.82 113.66 34.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.806 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -56.75 145.88 80.49 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.41 2.073 . . . . 0.0 112.278 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 10' ' ' VAL . 33.7 p90 -68.61 -15.66 63.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -57.13 -51.72 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.315 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.22 -35.45 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.441 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.501 HG11 HG22 ' B' ' 10' ' ' VAL . 43.7 t -60.69 -49.73 83.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.749 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.509 HG22 HG21 ' B' ' 9' ' ' VAL . 96.4 t -62.04 -50.52 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.538 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.7 mt -56.34 -46.21 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.258 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -63.88 -38.76 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.703 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.01 -56.26 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.469 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -54.62 -44.87 71.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.353 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.64 -35.05 73.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.611 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.0 73.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.19 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.71 -33.83 66.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.47 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 22' ' ' ILE . 58.0 t -67.88 -52.6 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.763 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.85 -36.64 67.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.441 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -57.72 -44.03 85.69 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.687 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.8 m -68.64 -37.97 80.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.787 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 18' ' ' VAL . 41.9 mm -61.52 -41.52 90.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.757 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG13 HD11 ' B' ' 20' ' ' LEU . 44.4 mm -63.57 -44.65 98.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -72.37 -20.11 61.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.302 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -76.74 -40.5 48.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.34 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mm -62.91 -43.45 98.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 111.284 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.661 HG12 HD12 ' B' ' 27' ' ' ILE . 2.8 mp -76.39 -36.49 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.607 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.4 tp -50.09 -44.3 51.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.953 0.406 . . . . 0.0 110.397 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -79.56 -31.44 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.654 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 39.5 ttm -59.06 -52.04 67.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.964 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.3 tp -73.35 -24.05 60.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.689 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -65.69 -27.13 68.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.326 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -105.2 9.93 33.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.987 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -135.36 115.62 13.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.832 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -53.99 122.91 37.79 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.138 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.68 134.08 25.27 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.381 2.054 . . . . 0.0 112.553 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -74.27 125.55 28.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -78.69 141.0 38.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.594 -0.202 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -141.87 6.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.657 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 42.7 t -146.2 147.58 31.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.432 HD12 ' N ' ' B' ' 4' ' ' LEU . 6.4 mp -112.99 93.94 27.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.56 169.48 9.77 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.372 2.048 . . . . 0.0 112.158 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.449 ' O ' HG23 ' B' ' 10' ' ' VAL . 2.2 p90 -65.33 -16.73 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -67.53 -26.38 66.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.778 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.5 t -72.21 -44.35 64.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.383 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.509 HG21 HG22 ' A' ' 10' ' ' VAL . 14.2 p -71.24 -31.25 43.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.355 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.501 HG22 HG11 ' A' ' 9' ' ' VAL . 53.8 t -69.1 -50.81 49.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 110.647 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.46 -37.31 79.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.621 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.0 t -67.26 -38.41 85.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.7 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.703 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -65.3 -57.5 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.501 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.483 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.0 tp -58.08 -41.05 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.288 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -69.49 -30.88 68.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 111.005 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.61 89.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.472 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 17' ' ' LEU . 4.5 mm? -71.68 -31.68 67.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.436 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 14' ' ' ILE . 83.4 t -66.94 -49.48 73.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.455 ' O ' HG12 ' B' ' 23' ' ' ILE . 24.5 m -62.91 -35.91 73.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.635 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.442 HD11 HG13 ' A' ' 23' ' ' ILE . 57.4 tp -57.87 -33.35 68.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.696 0.284 . . . . 0.0 110.732 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -74.26 -44.05 54.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.244 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.75 -36.92 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.471 ' O ' HG12 ' B' ' 27' ' ' ILE . 28.9 mm -62.68 -46.27 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.3 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.3 m -65.47 -36.94 85.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.056 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.73 -46.73 81.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.214 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.62 -40.0 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.882 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.661 HD12 HG12 ' A' ' 27' ' ' ILE . 39.7 mm -69.31 -43.5 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.219 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.51 -58.92 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 36.4 mm -56.85 -34.56 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.418 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.9 ttp -65.87 -43.63 87.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.256 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.5 tp -75.05 -23.64 58.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -71.85 -38.24 70.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -93.27 10.0 33.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.15 -39.46 68.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 22.0 ptmt -60.19 144.25 87.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 8.0 Cg_exo -72.15 128.0 13.38 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -121.06 127.92 52.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -117.25 147.5 42.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.103 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -139.92 -63.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.791 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -117.2 165.63 13.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.738 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -85.66 133.95 40.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.759 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HG2' HG23 ' A' ' 8' ' ' VAL . 35.1 Cg_endo -65.08 149.35 89.27 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.295 1.997 . . . . 0.0 112.175 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' O ' HG23 ' A' ' 10' ' ' VAL . 55.8 p90 -65.59 -19.74 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -59.89 -46.79 88.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.464 HG23 ' HG2' ' A' ' 5' ' ' PRO . 57.7 t -64.99 -35.49 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.816 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.5 HG12 HG12 ' B' ' 9' ' ' VAL . 6.6 t -64.92 -48.38 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.308 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 6' ' ' PHE . 93.8 t -61.1 -50.69 79.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.571 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.3 mt -56.09 -39.25 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.381 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -70.61 -38.93 74.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.29 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.85 -54.84 18.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.556 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.4 mt -55.22 -52.66 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.366 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 tp -53.78 -36.4 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -33.8 76.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.372 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.7 mt -73.08 -32.57 65.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.417 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 22' ' ' ILE . 56.0 t -68.53 -46.58 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.917 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.41 -38.78 83.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.459 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.2 tm? -58.3 -37.81 75.8 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.3 m -73.54 -35.59 65.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.602 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 18' ' ' VAL . 33.7 mm -63.84 -41.37 92.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.389 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -66.44 -42.61 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.618 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.5 t -70.28 -26.39 63.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.401 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 tp -67.63 -52.45 38.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.994 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.68 -39.79 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.516 HD13 HD11 ' B' ' 27' ' ' ILE . 50.6 mt -65.73 -41.67 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.279 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.6 tp -56.32 -51.84 66.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.038 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.2 mt -69.76 -32.99 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.8 ttm -61.36 -43.93 98.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.445 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.1 tp -79.06 -29.61 43.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.458 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -60.56 -33.95 73.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.748 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -104.88 -9.82 17.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.764 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HE2' ' HE2' ' B' ' 35' ' ' LYS . 83.3 tttt 62.05 4.15 1.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.201 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -77.74 113.09 29.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.802 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.31 159.22 53.74 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.29 1.993 . . . . 0.0 112.116 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -116.68 159.02 22.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -96.51 126.63 41.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -128.51 -67.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 0.0 110.956 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.8 p -90.0 147.55 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.791 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 72.1 mt -80.76 112.38 31.35 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.459 ' O ' HG22 ' B' ' 8' ' ' VAL . 33.9 Cg_exo -60.25 169.79 4.7 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.369 2.046 . . . . 0.0 112.36 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.423 ' O ' HG23 ' B' ' 10' ' ' VAL . 11.2 p90 -71.67 -16.3 62.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.04 -48.16 79.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.604 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.459 HG22 ' O ' ' B' ' 5' ' ' PRO . 31.1 m -63.71 -35.02 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.35 . . . . 0.0 110.995 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.5 HG12 HG12 ' A' ' 9' ' ' VAL . 2.7 t -64.71 -48.76 83.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 6' ' ' PHE . 87.8 t -58.04 -53.29 47.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.198 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.4 mm -59.81 -38.61 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.385 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -68.13 -38.81 82.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.05 -57.28 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.436 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tp -57.09 -41.73 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.428 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.08 -34.37 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.146 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.52 -34.37 78.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.266 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 17' ' ' LEU . 4.2 mm? -72.18 -32.41 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.396 . . . . 0.0 110.636 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.406 ' O ' HG12 ' B' ' 22' ' ' ILE . 97.6 t -69.03 -47.51 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.955 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -65.49 -30.84 51.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.173 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.94 -51.01 71.88 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.83 0.348 . . . . 0.0 110.562 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.423 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 88.9 m -64.41 -35.8 82.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.257 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.406 HG12 ' O ' ' B' ' 18' ' ' VAL . 31.9 mm -64.05 -39.74 86.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.695 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.446 HD12 ' CD2' ' A' ' 20' ' ' LEU . 5.1 mt -65.83 -37.06 79.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.805 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.5 m -73.59 -34.21 64.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' B' ' 21' ' ' THR . 86.0 mt -67.72 -42.9 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.397 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.38 -43.17 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.704 0.288 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.516 HD11 HD13 ' A' ' 27' ' ' ILE . 49.3 mm -66.16 -43.44 92.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.373 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.35 -54.79 42.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.407 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 54.3 mt -65.5 -31.16 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.358 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.8 ttp -66.73 -43.36 84.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 43.8 tp -79.63 -23.3 42.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -68.4 -38.14 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.929 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -92.03 -46.75 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -138.37 -175.47 4.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.825 0.345 . . . . 0.0 111.044 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.437 ' HE2' ' HE2' ' A' ' 34' ' ' LYS . 22.1 ptmt -109.17 156.26 39.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.613 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -49.63 135.3 34.11 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.527 2.151 . . . . 0.0 112.303 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -130.9 153.03 49.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -76.49 147.29 37.92 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.919 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.646 -0.182 . . . . 0.0 112.646 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -126.4 -18.53 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.975 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 m -103.14 167.33 9.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 5' ' ' PRO . 47.7 tp -99.12 101.7 13.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.645 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 4' ' ' LEU . 29.7 Cg_endo -63.29 127.42 20.02 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.488 2.125 . . . . 0.0 112.513 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' HG23 ' A' ' 10' ' ' VAL . 46.8 p90 -66.98 -18.23 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.598 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -59.72 -46.23 89.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.275 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -65.46 -35.74 76.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.568 HG12 HG12 ' B' ' 9' ' ' VAL . 2.1 t -64.89 -44.08 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 6' ' ' PHE . 89.2 t -66.25 -57.4 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.522 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.4 mt -53.02 -38.96 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.564 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -70.41 -42.29 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -62.28 -54.64 37.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.198 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.5 mm -55.32 -45.08 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.291 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.0 tp -59.04 -36.5 75.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.013 0.435 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.96 -30.78 70.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.228 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.05 -46.93 40.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.565 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 m -60.78 -39.69 82.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.545 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' HG12 ' A' ' 23' ' ' ILE . 33.8 m -69.03 -36.14 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.944 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.9 tm? -57.7 -44.71 86.08 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.4 m -63.95 -34.95 79.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.53 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.73 -35.83 71.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.531 HG21 HG23 ' B' ' 23' ' ' ILE . 45.3 mm -63.71 -48.77 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.984 0.421 . . . . 0.0 110.554 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.7 p -73.72 -21.28 60.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.461 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.63 -47.9 71.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.35 -39.68 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.965 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.461 HD11 HD13 ' B' ' 27' ' ' ILE . 42.9 mm -73.01 -36.43 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.43 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -56.97 -46.71 82.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.58 -32.22 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.031 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.8 ttm -59.33 -50.89 72.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.2 tp -73.27 -29.89 63.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.396 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -63.89 -32.36 73.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.459 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -105.44 9.67 33.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.328 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.9 tptp 61.21 -86.45 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.409 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 28.4 mtpp -58.64 127.14 81.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.701 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 32.0 Cg_exo -59.5 138.19 82.38 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.395 2.063 . . . . 0.0 112.187 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -98.78 132.37 44.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.787 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -95.94 116.68 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.733 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 N-CA-C 112.67 -0.172 . . . . 0.0 112.67 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -77.93 151.72 33.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.327 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 73.7 p -114.74 -58.23 2.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.739 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -110.52 154.64 42.98 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.637 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.38 127.66 19.59 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.342 2.028 . . . . 0.0 112.231 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.407 ' O ' HG23 ' B' ' 10' ' ' VAL . 44.4 p90 -70.47 -16.66 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.104 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.426 ' O ' HG12 ' B' ' 11' ' ' ILE . 5.5 tppp? -57.45 -51.98 67.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.26 -35.46 74.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.707 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.568 HG12 HG12 ' A' ' 9' ' ' VAL . 8.1 t -61.54 -55.54 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.785 0.326 . . . . 0.0 111.469 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 6' ' ' PHE . 87.5 t -55.59 -49.21 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.746 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 7' ' ' LYS . 43.8 mm -61.79 -41.04 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.244 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.4 t -66.64 -38.54 87.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.301 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -68.7 -54.94 13.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.411 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.464 ' O ' HG23 ' B' ' 18' ' ' VAL . 9.3 tp -59.0 -41.57 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.348 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.404 ' N ' HG23 ' B' ' 14' ' ' ILE . 56.1 tp -69.22 -37.57 78.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.351 . . . . 0.0 111.322 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.427 ' O ' HG22 ' B' ' 19' ' ' VAL . . . -63.69 -38.6 91.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.802 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.94 -31.56 72.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.892 0.377 . . . . 0.0 110.559 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 14' ' ' ILE . 92.9 t -70.9 -47.46 62.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.052 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 16' ' ' ALA . 20.1 m -65.77 -29.24 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.478 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 52.8 tp -67.41 -26.57 66.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.884 0.373 . . . . 0.0 110.366 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 86.0 m -83.55 -42.23 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.462 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.73 -42.06 91.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.587 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.531 HG23 HG21 ' A' ' 23' ' ' ILE . 18.8 tt -61.98 -38.68 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 89.1 p -73.74 -32.43 63.85 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.506 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 36.1 mt -65.6 -41.14 93.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.12 -39.72 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.578 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.461 HD13 HD11 ' A' ' 27' ' ' ILE . 47.0 mt -67.37 -44.23 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.005 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.24 -52.34 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.068 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 98.8 mt -67.13 -33.4 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.1 ttp -62.2 -42.23 99.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.469 HD12 ' HD3' ' B' ' 34' ' ' LYS . 37.7 tp -78.69 -23.86 45.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.8 t90 -69.61 -33.44 72.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -99.9 10.3 41.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.469 ' HD3' HD12 ' B' ' 31' ' ' LEU . 26.3 ttpp -58.31 117.28 4.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -113.9 136.08 22.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.609 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -58.39 134.8 63.71 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.343 2.029 . . . . 0.0 112.219 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -81.95 137.19 35.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.979 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -151.17 131.42 13.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.673 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.413 -0.803 . . . . 0.0 111.122 -179.83 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -91.87 -46.23 7.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.876 0.369 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 t -134.75 2.2 3.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 4' ' ' LEU . 6.4 mp -86.94 136.83 33.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.629 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.29 150.52 84.64 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.326 2.017 . . . . 0.0 112.33 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.567 ' HA ' HG22 ' A' ' 9' ' ' VAL . 52.3 p90 -69.71 -15.4 63.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.971 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.14 -47.86 80.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.924 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.0 t -72.8 -42.65 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.567 HG22 ' HA ' ' A' ' 6' ' ' PHE . 19.3 m -66.73 -34.51 70.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.2 p -71.44 -41.94 73.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.113 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -70.3 -34.34 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.389 . . . . 0.0 110.711 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -71.88 -38.6 69.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.692 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.27 -53.87 37.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 18' ' ' VAL . 80.8 mt -55.0 -48.33 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.88 -37.61 71.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.8 72.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.004 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.35 -31.81 64.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.408 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 14' ' ' ILE . 59.8 t -69.0 -41.4 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 23' ' ' ILE . 30.8 m -73.41 -30.48 30.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.611 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.663 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -58.45 -38.36 77.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.914 0.387 . . . . 0.0 110.055 179.501 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.1 m -74.94 -34.01 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.959 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.5 -46.58 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.0 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.597 ' HB ' HD12 ' B' ' 23' ' ' ILE . 46.6 mm -57.92 -47.12 87.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -73.14 -23.76 60.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.536 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.01 -49.83 64.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.772 0.32 . . . . 0.0 111.15 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.1 mm -57.06 -39.6 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.434 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.472 HD11 HD13 ' B' ' 27' ' ' ILE . 25.8 mm -73.18 -36.86 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.511 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.83 -43.85 81.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.886 0.374 . . . . 0.0 110.576 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -79.45 -32.36 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.3 ttm -60.04 -49.92 75.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -75.12 -29.92 60.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -61.59 -30.41 70.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.669 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -104.56 -0.01 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 59.49 -87.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.407 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -87.47 155.72 53.89 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -68.97 147.4 67.88 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.414 2.076 . . . . 0.0 112.035 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -82.58 144.86 30.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -106.57 134.45 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.873 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.924 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 60.61 102.53 0.02 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.898 0.38 . . . . 0.0 111.101 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 87.0 p -112.52 -178.18 3.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 55.3 mt -80.65 153.47 73.25 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.454 ' O ' HG22 ' B' ' 8' ' ' VAL . 31.5 Cg_endo -63.91 164.79 20.68 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.395 2.063 . . . . 0.0 112.155 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -71.41 -16.5 62.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.997 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -58.23 -52.89 63.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.393 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.454 HG22 ' O ' ' B' ' 5' ' ' PRO . 30.7 m -59.36 -35.54 58.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.425 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t -63.74 -49.52 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.401 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.37 -47.89 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.77 -35.62 68.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.233 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.5 t -68.08 -38.71 82.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.02 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -68.92 -51.79 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.666 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.415 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.7 tp -62.1 -39.88 85.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.55 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 19' ' ' VAL . 60.7 tp -69.09 -42.33 76.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.22 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.51 89.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.567 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.41 -36.78 81.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.929 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.462 ' O ' HG12 ' B' ' 22' ' ' ILE . 98.5 t -68.42 -40.11 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.663 HG12 HD21 ' A' ' 20' ' ' LEU . 72.4 t -67.45 -39.92 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.471 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.726 HD12 HD11 ' B' ' 23' ' ' ILE . 60.5 tp -57.61 -31.94 66.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.736 0.303 . . . . 0.0 110.738 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 59.7 m -78.52 -32.3 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.509 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.462 HG12 ' O ' ' B' ' 18' ' ' VAL . 46.8 mm -69.95 -46.78 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.726 HD11 HD12 ' B' ' 20' ' ' LEU . 30.3 pt -64.02 -32.71 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 94.0 p -72.43 -39.03 68.17 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.2 -39.25 92.59 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.709 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.71 -40.77 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.073 0.463 . . . . 0.0 110.577 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.472 HD13 HD11 ' A' ' 27' ' ' ILE . 53.1 mt -66.92 -46.1 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.951 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.5 tp -55.51 -56.44 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.999 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -62.88 -31.08 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.195 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 30.2 ttm -64.78 -44.64 89.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 49.4 tp -78.86 -23.72 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -69.52 -35.06 75.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.721 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -95.36 7.59 45.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -95.64 -54.92 3.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.915 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 68.2 mttm -109.12 112.17 59.92 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.74 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 16.6 Cg_exo -68.57 168.43 19.87 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.494 2.129 . . . . 0.0 112.251 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -99.23 153.5 18.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -100.49 147.26 26.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.047 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.82 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -89.97 -58.25 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 0.0 110.552 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 m -77.89 142.15 38.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.805 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -106.12 141.46 22.79 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.771 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.94 154.76 71.59 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.435 2.09 . . . . 0.0 112.099 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 10' ' ' VAL . 43.4 p90 -71.22 -17.15 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 11' ' ' ILE . 99.3 mttt -57.98 -53.65 55.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.227 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -58.07 -35.06 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.603 HG12 HG12 ' B' ' 9' ' ' VAL . 2.8 t -64.99 -44.24 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 6' ' ' PHE . 67.2 t -66.64 -48.03 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.534 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 7' ' ' LYS . 45.2 mm -58.07 -38.82 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.217 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.6 m -72.03 -39.8 68.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.208 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.86 -57.44 8.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.446 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 18' ' ' VAL . 86.6 mt -54.61 -46.55 72.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.83 -38.08 69.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.704 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.22 -33.58 76.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.042 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.19 -34.19 70.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.658 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 14' ' ' ILE . 47.0 t -67.04 -47.91 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 m -66.73 -31.06 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.417 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.755 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -57.99 -40.6 81.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.993 0.425 . . . . 0.0 110.226 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -73.72 -37.37 65.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.792 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.2 mt -64.77 -37.54 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.536 HG13 HD11 ' B' ' 20' ' ' LEU . 29.1 mm -66.81 -45.84 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.022 0.439 . . . . 0.0 110.457 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -73.43 -18.47 61.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.231 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.6 tp -75.43 -49.0 20.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.221 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.26 -41.68 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.536 HD13 HG23 ' B' ' 27' ' ' ILE . 10.2 tp -73.41 -36.26 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.184 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 tp -57.09 -50.23 73.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.938 0.399 . . . . 0.0 110.399 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mm -70.14 -34.57 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.751 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 44.0 ttm -60.71 -42.54 97.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.755 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.7 tp -79.29 -30.29 42.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.601 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -59.58 -35.03 73.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.579 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 30.0 mm-40 -105.31 -11.91 16.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.633 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp 62.63 18.57 10.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 33' ' ' GLN . 53.5 mtpt -111.83 153.32 44.47 Favored Pre-proline 0 C--O 1.233 0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.786 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -72.16 126.52 11.83 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.429 2.086 . . . . 0.0 112.654 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -131.58 140.6 49.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.0 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -134.81 144.46 47.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.936 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.747 179.749 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.581 -0.208 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -85.03 -4.28 59.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.723 0.297 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -93.03 144.26 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.74 147.6 84.08 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.54 142.67 99.26 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.467 2.111 . . . . 0.0 112.302 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -63.41 -21.98 66.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.63 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.412 ' O ' HG12 ' B' ' 11' ' ' ILE . 37.6 ttpt -58.01 -33.69 69.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 t -68.6 -36.06 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.603 HG12 HG12 ' A' ' 9' ' ' VAL . 6.5 t -69.67 -40.04 78.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.563 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.25 -56.39 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.77 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.412 HG12 ' O ' ' B' ' 7' ' ' LYS . 13.5 pt -60.89 -38.97 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.615 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -66.18 -38.11 87.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.13 -56.17 12.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.428 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.436 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.3 tp -60.51 -40.66 85.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.132 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.414 ' O ' HG23 ' B' ' 19' ' ' VAL . 60.5 tp -66.29 -36.72 83.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.56 96.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.178 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.38 -39.62 93.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.551 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 14' ' ' ILE . 95.5 t -63.36 -35.58 72.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.164 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.755 HG12 HD21 ' A' ' 20' ' ' LEU . 76.4 t -70.62 -42.83 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.056 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.536 HD11 HG13 ' A' ' 23' ' ' ILE . 52.3 tp -57.72 -33.88 68.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.688 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 68.3 m -72.93 -42.17 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.211 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.417 ' O ' HG13 ' B' ' 26' ' ' ILE . 38.8 mm -61.42 -42.92 95.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.517 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.452 HG12 ' O ' ' B' ' 19' ' ' VAL . 32.0 mm -61.74 -38.85 81.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.759 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.0 t -70.14 -35.64 74.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.428 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.48 -43.56 72.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 22' ' ' ILE . 96.3 mt -58.19 -43.29 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.536 HG23 HD13 ' A' ' 27' ' ' ILE . 87.2 mt -69.89 -38.26 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.63 -56.67 18.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.254 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 75.5 mt -64.32 -36.85 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.574 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.1 ttp -59.37 -39.05 82.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 tp -81.68 -23.88 36.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.652 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -67.97 -39.15 83.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.174 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -93.14 -17.87 23.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.138 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 tttt 62.1 -84.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.067 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 87.8 tttt -73.16 130.34 84.8 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.667 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 32.1 Cg_exo -58.79 146.7 91.76 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.485 2.123 . . . . 0.0 112.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -69.35 162.19 27.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -101.69 130.03 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.828 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -125.66 -21.79 4.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 m -88.64 6.39 38.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.7 mt -82.54 118.92 73.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.56 138.9 61.61 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.368 2.046 . . . . 0.0 112.323 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -67.45 -17.05 64.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.82 -44.9 93.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.069 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.25 -36.0 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.294 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.443 HG12 HG12 ' B' ' 9' ' ' VAL . 2.3 t -64.12 -45.77 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.042 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.3 t -65.91 -55.53 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.449 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.2 mt -54.85 -37.72 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.369 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -70.46 -43.25 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -56.08 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -55.07 -41.87 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -56.52 -52.65 63.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.438 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.92 -32.97 70.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.304 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.22 -41.01 99.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.686 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.04 -34.19 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.802 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 15' ' ' LEU . 60.0 t -68.67 -37.58 77.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.521 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.66 -32.61 74.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -74.94 -35.23 62.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.09 -43.3 51.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.994 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.615 HG23 HG21 ' B' ' 23' ' ' ILE . 9.0 tp -63.37 -38.97 83.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -73.99 -29.88 62.19 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.6 -39.02 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mm -62.19 -39.69 84.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.48 HD11 HD11 ' B' ' 27' ' ' ILE . 32.8 mt -71.44 -38.73 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.117 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.54 -46.2 89.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mm -75.23 -32.81 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.272 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.5 ttm -65.47 -43.85 89.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.203 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -78.32 -34.55 48.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.628 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -60.3 -32.35 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.628 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -104.04 7.72 36.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -79.28 -39.46 32.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.73 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -73.34 146.26 86.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.735 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -75.22 154.5 41.5 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.319 2.012 . . . . 0.0 112.293 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.12 120.58 31.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -77.99 135.65 37.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.883 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -63.12 111.38 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.351 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -156.23 -39.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -64.06 150.82 91.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.767 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.4 152.53 66.74 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.46 2.106 . . . . 0.0 112.297 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -69.8 -20.16 63.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -58.7 -35.65 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.779 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.412 HG23 ' H ' ' B' ' 8' ' ' VAL . 2.6 t -67.38 -35.76 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.052 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.443 HG12 HG12 ' A' ' 9' ' ' VAL . 3.5 t -68.29 -49.54 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.51 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.25 -55.68 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.88 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.62 -40.09 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.483 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.0 t -66.62 -38.25 86.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.218 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.43 -57.37 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.791 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.415 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.0 tt -59.94 -42.67 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.683 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.401 ' N ' HG23 ' B' ' 14' ' ' ILE . 64.2 tp -63.25 -34.23 77.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.79 0.328 . . . . 0.0 110.811 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.0 82.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.354 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.93 -37.04 67.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.577 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 14' ' ' ILE . 96.5 t -65.46 -43.23 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.43 ' O ' HG12 ' B' ' 23' ' ' ILE . 33.7 m -72.39 -32.04 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.394 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -57.51 -42.95 83.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.891 0.377 . . . . 0.0 110.326 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 61.7 m -66.91 -34.03 76.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.097 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.425 ' O ' HG13 ' B' ' 26' ' ' ILE . 43.9 mm -65.4 -46.2 90.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.595 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.615 HG21 HG23 ' A' ' 23' ' ' ILE . 49.3 mm -58.58 -36.7 60.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.7 m -71.12 -42.27 69.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.384 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.31 -35.86 80.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.219 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 22' ' ' ILE . 91.5 mt -62.54 -40.39 88.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.715 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.48 HD11 HD11 ' A' ' 27' ' ' ILE . 28.2 mt -70.72 -41.16 77.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.06 -55.66 30.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.244 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.5 mt -66.52 -37.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.419 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.4 ttp -57.2 -45.78 83.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.27 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 28.3 tp -79.79 -25.85 40.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -64.62 -34.89 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.724 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -99.55 2.72 45.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.555 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 55.82 -165.7 0.12 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.981 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -59.39 149.35 69.72 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.45 132.99 30.84 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.542 2.162 . . . . 0.0 112.429 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -85.09 138.74 32.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -99.39 139.98 34.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.257 1.486 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.065 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.62 -0.192 . . . . 0.0 112.62 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -128.59 3.46 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.814 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 m -94.31 15.2 18.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.782 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.6 mt -85.41 150.26 53.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.23 166.26 6.08 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.52 2.147 . . . . 0.0 112.307 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.459 ' HA ' HG12 ' A' ' 9' ' ' VAL . 52.0 p90 -67.4 -15.78 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -57.06 -43.92 82.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.5 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.5 t -72.19 -42.59 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.474 HG21 HG22 ' B' ' 10' ' ' VAL . 9.1 p -66.18 -34.62 71.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 6' ' ' PHE . 75.3 t -71.4 -53.79 19.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.718 0.294 . . . . 0.0 111.022 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -57.21 -39.28 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.961 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -67.06 -38.96 86.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.878 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -64.57 -54.14 36.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -55.44 -45.92 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.174 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.9 tp -58.47 -37.99 76.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.92 -31.94 73.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.79 -37.2 65.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.19 -40.98 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.347 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.8 p -71.48 -29.34 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.531 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CD1' HG13 ' B' ' 23' ' ' ILE . 46.5 tp -69.53 -25.74 64.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 110.715 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.9 m -83.24 -35.51 25.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.528 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.6 mt -72.77 -40.13 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.517 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.625 HG23 HG21 ' B' ' 23' ' ' ILE . 7.9 tp -64.55 -39.15 84.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.418 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.2 t -74.61 -31.31 61.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.974 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.94 -44.07 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.123 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.8 -39.67 84.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.564 HD11 HD11 ' B' ' 27' ' ' ILE . 59.3 mt -68.33 -38.59 79.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.254 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.49 -50.7 72.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.2 mm -70.58 -37.37 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.237 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.9 ttm -60.2 -51.46 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.826 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.5 tp -70.47 -26.82 63.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -64.93 -26.89 68.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -101.33 10.43 40.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -119.96 -68.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.773 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -76.04 121.92 85.92 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -64.45 150.55 88.05 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.313 2.009 . . . . 0.0 112.117 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -97.94 112.32 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.769 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -89.0 118.66 28.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.994 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.467 0.392 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.747 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -85.89 -33.59 21.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.807 0.337 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -143.31 104.45 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.751 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 79.0 mt -111.6 146.62 35.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.036 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.461 ' O ' HG22 ' B' ' 8' ' ' VAL . 25.2 Cg_exo -63.23 128.38 22.56 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.561 2.174 . . . . 0.0 112.263 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -72.19 -16.99 61.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.046 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -59.04 -47.66 84.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.861 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 5' ' ' PRO . 18.7 m -62.42 -35.24 68.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.663 0.268 . . . . 0.0 111.33 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.79 -49.52 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.687 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.474 HG22 HG21 ' A' ' 9' ' ' VAL . 53.5 t -60.81 -48.85 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.526 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.3 -34.93 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.395 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -70.94 -38.84 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.143 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -65.7 -53.2 44.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.587 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.447 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.2 tt -62.08 -39.02 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.429 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.9 tp -69.46 -31.73 70.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.014 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.24 82.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.494 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -73.21 -36.63 66.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.797 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 14' ' ' ILE . 96.4 t -64.24 -42.51 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.453 ' O ' HG12 ' B' ' 23' ' ' ILE . 32.9 m -74.31 -34.71 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.409 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.46 -43.93 84.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.71 0.291 . . . . 0.0 110.512 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -66.37 -32.8 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 0.0 110.102 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 26' ' ' ILE . 96.6 mt -70.46 -34.81 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.376 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.625 HG21 HG23 ' A' ' 23' ' ' ILE . 38.0 mm -64.07 -41.22 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.408 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 81.6 p -72.06 -38.39 69.47 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.49 -34.78 74.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.652 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 22' ' ' ILE . 96.7 mt -65.31 -40.67 89.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.76 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 27' ' ' ILE . 38.4 mt -69.42 -42.5 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -55.92 -57.58 11.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.205 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.94 -30.66 51.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 36.6 ttm -61.39 -52.1 66.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.504 ' HA ' ' HB3' ' B' ' 34' ' ' LYS . 50.3 tp -74.01 -24.41 59.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.098 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -63.94 -35.51 80.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -104.25 7.35 35.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.504 ' HB3' ' HA ' ' B' ' 31' ' ' LEU . 60.3 tttm -98.99 -19.39 17.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.691 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' B' ' 35' ' ' LYS . 6.9 ttpm? -87.64 119.27 70.6 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.846 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.11 158.98 54.25 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.401 2.068 . . . . 0.0 112.372 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -118.51 144.64 45.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.801 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -129.02 145.68 51.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.137 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.849 179.841 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -101.26 -25.88 13.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.628 0.252 . . . . 0.0 110.99 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m 63.13 -82.2 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.354 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.2 tp -99.75 109.1 54.46 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.03 158.96 51.62 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.277 1.985 . . . . 0.0 112.183 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 10' ' ' VAL . 45.8 p90 -71.1 -16.35 62.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -57.74 -53.21 60.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.374 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.93 -35.65 69.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.212 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.615 HG12 HG12 ' B' ' 9' ' ' VAL . 2.5 t -64.6 -45.73 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.339 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 6' ' ' PHE . 91.9 t -66.79 -52.77 41.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.467 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -55.34 -38.72 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.437 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.5 t -70.26 -39.71 74.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.857 0.36 . . . . 0.0 111.105 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.37 -55.9 15.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.234 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.2 mt -55.35 -44.05 73.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.15 -39.56 79.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.05 -34.76 66.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.447 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.67 -45.68 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 23' ' ' ILE . 33.7 m -66.6 -35.03 73.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.365 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.53 HD21 HG12 ' B' ' 19' ' ' VAL . 1.3 tm? -57.95 -44.71 87.15 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.784 0.326 . . . . 0.0 110.241 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.8 m -66.28 -32.47 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.391 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.23 -34.07 53.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.51 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 19' ' ' VAL . 34.7 mm -63.8 -49.44 81.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.675 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.0 p -73.54 -23.4 59.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.838 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.7 -51.49 58.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.636 0.255 . . . . 0.0 111.33 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -59.16 -41.05 82.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.084 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 23' ' ' ILE . 33.5 mm -70.55 -35.89 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.29 -44.88 92.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -76.41 -40.85 35.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.382 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.5 ttp -59.5 -43.34 93.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.965 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -74.77 -27.09 60.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.329 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -70.46 -26.23 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.759 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -105.49 10.06 33.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HG2' ' HD2' ' A' ' 35' ' ' LYS . 39.0 ttmt -120.39 -66.86 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.773 0.321 . . . . 0.0 110.813 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.524 ' HD2' ' HG2' ' A' ' 34' ' ' LYS . 4.7 mptp? -99.09 134.33 21.46 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.592 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -61.39 145.29 98.32 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.337 2.025 . . . . 0.0 112.295 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -104.73 139.3 39.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -116.28 139.76 50.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.964 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.338 -0.305 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -108.98 -61.99 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.709 0.29 . . . . 0.0 110.71 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -121.68 127.54 50.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.797 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.763 HD23 ' H ' ' B' ' 4' ' ' LEU . 2.6 pt? -116.46 147.03 38.79 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.99 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.462 ' O ' HG22 ' B' ' 8' ' ' VAL . 51.9 Cg_exo -55.28 126.17 21.61 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.551 2.167 . . . . 0.0 112.348 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -71.74 -17.51 62.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.782 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -58.24 -51.89 67.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.265 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.462 HG22 ' O ' ' B' ' 5' ' ' PRO . 33.7 m -61.93 -35.58 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.358 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.615 HG12 HG12 ' A' ' 9' ' ' VAL . 5.5 t -63.07 -51.97 64.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.252 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.409 ' O ' HG22 ' B' ' 14' ' ' ILE . 69.2 t -58.1 -50.46 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.581 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.54 -33.53 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.17 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 44.8 t -71.53 -38.63 71.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.058 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.19 -53.88 15.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.479 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.409 HG22 ' O ' ' B' ' 10' ' ' VAL . 8.6 tp -57.43 -41.83 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.405 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.406 ' N ' HG23 ' B' ' 14' ' ' ILE . 55.2 tp -68.9 -34.48 75.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.93 99.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.69 -38.78 86.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.644 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.445 ' O ' HD13 ' B' ' 22' ' ' ILE . 47.9 t -67.48 -34.98 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.558 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.53 HG12 HD21 ' A' ' 20' ' ' LEU . 62.4 t -70.95 -34.59 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.433 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.51 HD13 ' O ' ' B' ' 20' ' ' LEU . 0.4 OUTLIER -67.18 -32.26 73.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.85 0.357 . . . . 0.0 110.627 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.404 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 40.5 m -76.5 -43.79 38.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.696 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.445 HD13 ' O ' ' B' ' 18' ' ' VAL . 1.7 mp -68.33 -41.56 83.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.008 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.429 HG23 HG21 ' A' ' 23' ' ' ILE . 17.0 tt -61.56 -37.54 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 84.5 p -74.08 -34.9 64.17 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.866 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 21' ' ' THR . 56.7 mt -63.4 -44.93 93.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -54.44 -39.71 46.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.634 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 36.2 mt -69.58 -40.03 79.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.709 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.32 -58.16 9.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.102 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.29 -36.4 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 34.4 ttm -56.18 -46.9 79.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.982 0.42 . . . . 0.0 110.775 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -76.58 -23.78 53.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.937 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -68.52 -32.72 72.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -104.53 7.66 35.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -88.55 -55.53 3.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.708 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -88.32 152.95 50.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.736 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.99 141.31 57.1 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.403 2.069 . . . . 0.0 112.23 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -90.35 133.22 35.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -119.61 145.54 46.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.381 -0.819 . . . . 0.0 110.913 179.839 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.119 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 65.9 m80 58.68 17.42 5.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.743 0.306 . . . . 0.0 111.351 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 t -95.66 -58.89 1.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.093 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 4' ' ' LEU . 7.1 mp -82.96 132.64 50.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.4 135.05 67.38 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.397 2.064 . . . . 0.0 112.17 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -64.5 -15.72 61.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -57.1 -50.83 71.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.122 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -70.78 -35.73 61.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.282 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.551 HG12 HG12 ' B' ' 9' ' ' VAL . 4.3 t -58.89 -50.67 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.409 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 14' ' ' ILE . 84.8 t -61.99 -58.71 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.592 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.4 mt -49.87 -38.83 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -71.7 -38.6 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.77 -57.31 10.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.894 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.4 pt -61.81 -38.45 80.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.37 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 tp -56.19 -54.91 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.676 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.12 -31.31 69.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.033 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.61 -36.58 82.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.544 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 14' ' ' ILE . 97.4 t -68.75 -39.81 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.268 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 23' ' ' ILE . 58.9 t -63.05 -38.14 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -57.4 -38.15 73.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.223 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -71.59 -35.75 70.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.555 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 18' ' ' VAL . 49.4 mm -66.38 -38.9 82.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.714 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.5 HG21 HG23 ' B' ' 23' ' ' ILE . 42.3 mm -65.45 -45.39 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.767 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.9 t -73.31 -21.63 60.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.701 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -68.89 -49.95 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.741 0.305 . . . . 0.0 111.075 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -59.3 -39.65 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.504 HD11 HD13 ' B' ' 27' ' ' ILE . 41.8 mm -72.44 -36.72 55.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.52 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.43 -42.2 91.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.5 mm -79.08 -40.92 22.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.58 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 ttp -60.53 -38.78 85.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.725 0.297 . . . . 0.0 110.901 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.5 tp -77.9 -33.18 52.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.057 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.3 t90 -64.62 -29.83 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.664 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -101.43 5.82 42.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.771 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.8 tttm 58.23 -85.88 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.432 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 3.1 mmmp? -64.74 137.23 97.08 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 24.2 Cg_exo -63.76 140.94 76.64 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.553 2.169 . . . . 0.0 112.032 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -117.87 145.89 44.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -85.56 122.56 29.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.829 179.918 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.569 -0.213 . . . . 0.0 112.569 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -152.68 -7.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.763 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -136.01 -19.81 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.605 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.79 136.64 92.48 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.702 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.548 ' O ' HG22 ' B' ' 8' ' ' VAL . 41.6 Cg_endo -67.52 156.45 66.07 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.253 1.969 . . . . 0.0 112.294 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -71.3 -16.39 62.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -58.01 -40.62 81.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.45 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.548 HG22 ' O ' ' B' ' 5' ' ' PRO . 16.8 m -64.55 -35.14 73.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.81 0.338 . . . . 0.0 111.223 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.551 HG12 HG12 ' A' ' 9' ' ' VAL . 2.5 t -65.97 -48.65 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.214 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.39 -47.65 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.395 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.8 mt -66.38 -36.42 77.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.419 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -68.92 -38.73 79.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 111.115 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.38 -52.71 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.258 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.471 ' O ' HG23 ' B' ' 18' ' ' VAL . 9.5 tp -59.99 -37.31 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.28 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.38 -36.56 76.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.232 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.96 79.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.275 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.64 -31.67 68.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 110.39 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 14' ' ' ILE . 92.1 t -70.86 -42.37 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.925 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.11 -24.95 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.48 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -26.92 65.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.975 0.417 . . . . 0.0 110.178 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 86.3 m -83.89 -42.35 16.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.585 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 66.1 mt -68.58 -38.07 78.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.5 HG23 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -63.15 -35.62 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.295 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.433 ' HA ' HD12 ' B' ' 27' ' ' ILE . 31.0 m -74.08 -44.18 54.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.956 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -55.18 -45.36 75.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.64 -40.34 50.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.608 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.504 HD13 HD11 ' A' ' 27' ' ' ILE . 46.0 mt -67.21 -47.35 81.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.78 -56.17 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.443 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.01 -34.56 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.341 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.4 ttp -60.68 -46.82 88.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 110.552 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 31.2 tp -75.46 -25.18 57.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.42 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -65.95 -33.54 76.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.778 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -104.68 6.72 34.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -77.5 -65.85 0.91 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -96.99 122.13 57.3 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.934 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.91 159.68 52.87 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.338 2.026 . . . . 0.0 112.266 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -101.39 117.31 34.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -83.35 129.25 34.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.77 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.888 -179.923 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 62.7 m80 59.51 11.22 2.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.488 0.185 . . . . 0.0 111.358 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t 59.34 99.03 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.051 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -116.26 151.57 46.93 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.43 165.89 8.62 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.559 2.173 . . . . 0.0 112.236 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.492 ' HA ' HG12 ' A' ' 9' ' ' VAL . 43.6 p90 -70.97 -16.94 62.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' HG12 ' A' ' 11' ' ' ILE . 33.9 ttmt -63.07 -42.97 99.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.762 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.2 t -72.42 -39.55 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 6' ' ' PHE . 12.4 p -68.67 -32.31 54.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 6' ' ' PHE . 47.9 t -71.09 -47.79 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.641 0.258 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 7' ' ' LYS . 37.5 mm -58.94 -41.55 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -69.36 -40.66 77.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -61.39 -53.93 50.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.1 mt -56.31 -49.1 78.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.357 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 19' ' ' VAL . 55.8 tp -55.39 -40.3 71.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.848 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' B' ' 16' ' ' ALA . . . -57.54 -43.11 84.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.24 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.41 -33.5 75.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.5 t -68.87 -36.01 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.723 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 23' ' ' ILE . 65.0 t -69.83 -44.01 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.188 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.577 HD21 HG12 ' B' ' 19' ' ' VAL . 1.7 tm? -57.29 -39.7 76.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.235 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.0 m -66.21 -33.92 76.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.581 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.3 mm -72.8 -38.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.775 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.534 HG21 HG23 ' B' ' 23' ' ' ILE . 49.2 mm -62.72 -47.55 92.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.987 0.422 . . . . 0.0 110.928 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.0 t -73.07 -22.42 60.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.472 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.6 tp -70.11 -45.68 66.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.6 mm -62.45 -41.17 90.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.343 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.501 HD11 HD13 ' B' ' 27' ' ' ILE . 46.1 mm -73.55 -36.51 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.624 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.7 tp -54.13 -50.93 65.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.998 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.443 HD12 ' N ' ' A' ' 29' ' ' ILE . 2.5 mp -74.93 -34.73 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.8 ttm -56.34 -45.41 80.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.686 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -78.87 -25.94 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.63 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -63.55 -32.17 73.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.674 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -105.27 9.63 33.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.942 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -90.22 -30.17 17.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -77.72 113.54 33.3 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.796 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -77.23 144.61 23.5 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.414 2.076 . . . . 0.0 112.385 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -77.61 152.3 33.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -153.93 153.08 31.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.217 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.794 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.207 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -95.13 -42.3 8.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.896 0.379 . . . . 0.0 110.78 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -150.27 110.1 4.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 85.0 mt -97.31 149.69 35.99 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.716 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.03 147.61 63.03 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.449 2.099 . . . . 0.0 112.23 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -69.43 -18.88 63.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.715 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.435 ' O ' HG12 ' B' ' 11' ' ' ILE . 41.0 ttmt -64.06 -40.42 96.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.9 t -62.85 -35.53 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 37.2 t -71.12 -45.21 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.353 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.67 -49.42 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.463 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.435 HG12 ' O ' ' B' ' 7' ' ' LYS . 37.0 mm -63.46 -35.77 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.195 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.0 t -69.64 -38.53 77.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -67.3 -56.07 11.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.495 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.413 HG23 ' N ' ' B' ' 15' ' ' LEU . 8.1 tp -57.35 -42.46 80.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.574 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.413 ' N ' HG23 ' B' ' 14' ' ' ILE . 62.9 tp -69.4 -35.6 75.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.028 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' A' ' 16' ' ' ALA . . . -58.33 -45.07 88.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.36 -38.52 91.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.023 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 14' ' ' ILE . 91.6 t -64.26 -38.39 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.623 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.577 HG12 HD21 ' A' ' 20' ' ' LEU . 84.4 t -72.74 -32.21 39.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.416 HD21 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -65.33 -31.36 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.691 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 63.0 m -78.37 -45.28 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.152 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.29 -43.14 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.534 HG23 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -59.35 -38.39 74.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.67 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.535 ' HA ' HD12 ' B' ' 27' ' ' ILE . 95.1 p -73.99 -35.25 64.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.942 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.2 mt -62.93 -42.49 99.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.1 -39.67 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.444 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' B' ' 24' ' ' SER . 21.6 mt -68.17 -41.83 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.862 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.3 -56.6 20.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.344 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.23 -32.53 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.511 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 59.5 ttp -62.08 -45.79 91.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 29.7 tp -78.38 -23.84 46.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.746 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -64.4 -35.23 80.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.209 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -93.69 10.59 32.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.241 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -122.74 169.74 10.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.889 0.376 . . . . 0.0 110.935 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -66.92 150.46 97.81 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.009 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.91 166.73 29.21 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.468 2.112 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -95.74 119.56 34.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -87.94 147.12 25.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.593 -0.718 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 57.03 -175.79 0.06 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.856 0.36 . . . . 0.0 111.106 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -163.03 -1.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.4 mm? -88.6 142.19 30.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -56.26 152.92 36.08 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.44 2.093 . . . . 0.0 112.3 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -69.98 -16.42 63.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -57.95 -51.77 68.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.098 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.1 -35.62 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.207 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.573 HG12 HG12 ' B' ' 9' ' ' VAL . 2.7 t -64.03 -50.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.07 -56.1 19.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.558 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.3 mt -52.84 -36.49 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.426 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -71.65 -40.42 69.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.153 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.16 -56.36 11.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.375 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.22 -46.63 77.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.155 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.8 tp -54.77 -50.83 67.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.832 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.95 -32.83 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.2 tp -67.41 -35.27 78.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.356 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.83 -30.89 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.38 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.0 t -71.6 -31.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.411 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.33 -29.09 66.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.908 0.385 . . . . 0.0 110.314 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.1 m -78.96 -36.98 40.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.683 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -74.21 -41.35 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.962 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.493 HG23 HG21 ' B' ' 23' ' ' ILE . 6.8 tp -61.8 -43.07 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.666 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.8 p -75.15 -29.36 60.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.32 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.8 -52.08 66.59 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.252 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -54.55 -39.46 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.568 HD11 HD13 ' B' ' 27' ' ' ILE . 38.6 mm -72.34 -36.2 54.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.487 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.67 -43.98 93.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.738 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.29 -34.45 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.4 ttm -60.89 -43.9 97.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.743 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.5 tp -77.24 -32.78 56.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.645 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.6 t90 -63.92 -26.46 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.802 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -105.11 6.88 33.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -129.17 -172.18 2.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 111.082 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -53.68 112.88 4.16 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.208 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -62.25 145.0 96.2 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.378 2.052 . . . . 0.0 112.182 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -66.01 142.23 57.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -116.55 154.92 29.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.757 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.218 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -77.11 145.79 37.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.786 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 79.3 p -100.77 112.15 24.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.46 ' HB3' HG21 ' B' ' 8' ' ' VAL . 89.6 mt -73.32 146.32 86.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.454 ' O ' HG22 ' B' ' 8' ' ' VAL . 34.4 Cg_endo -64.77 169.7 11.18 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.317 2.011 . . . . 0.0 112.026 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -71.6 -16.96 62.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -58.54 -51.28 70.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.446 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.46 HG21 ' HB3' ' B' ' 4' ' ' LEU . 28.0 m -62.74 -35.46 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.63 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.573 HG12 HG12 ' A' ' 9' ' ' VAL . 3.3 t -60.7 -49.54 84.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 111.262 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.99 -48.19 87.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.391 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.9 mt -59.96 -35.65 62.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.285 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.5 t -71.83 -38.67 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.053 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.44 -54.64 21.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.41 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.28 -38.84 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.649 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 tp -69.4 -40.65 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.17 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.74 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.365 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -71.51 -39.05 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.753 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.411 ' O ' HG13 ' B' ' 22' ' ' ILE . 98.2 t -64.63 -49.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.002 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.457 ' O ' HG12 ' B' ' 23' ' ' ILE . 33.5 m -64.46 -37.78 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.317 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.1 tp -57.4 -38.26 74.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.824 0.345 . . . . 0.0 110.414 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -71.79 -34.71 69.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 18' ' ' VAL . 72.7 mt -67.83 -38.69 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.493 HG21 HG23 ' A' ' 23' ' ' ILE . 36.1 mm -60.15 -42.53 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.926 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.3 m -66.26 -39.5 89.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.16 -40.62 96.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.12 -41.16 90.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.568 HD13 HD11 ' A' ' 27' ' ' ILE . 31.2 mt -69.92 -39.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.089 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.1 -55.69 30.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.464 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.43 -37.23 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.399 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.2 ttp -58.7 -45.55 89.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.056 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.5 tp -79.21 -23.7 43.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -66.17 -36.39 82.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -92.42 10.31 30.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.064 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -132.66 113.08 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.96 118.02 63.21 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.05 151.32 16.69 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.553 2.168 . . . . 0.0 112.444 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -106.57 149.43 27.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.006 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -122.66 119.14 29.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--O 1.257 1.477 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.171 179.821 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.783 0.243 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 10' ' ' VAL . 44.9 p90 -62.25 -15.07 44.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.776 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -56.6 -52.16 65.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.3 t -71.95 -35.63 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.607 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' B' ' 9' ' ' VAL . 4.7 t -59.76 -51.21 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 0.0 111.529 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 6' ' ' PHE . 98.0 t -60.54 -58.44 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.686 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.1 mt -51.17 -37.1 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.615 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -72.05 -42.34 66.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.34 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.93 -52.54 55.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.411 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 18' ' ' VAL . 41.8 mm -54.68 -51.81 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.1 tp -55.6 -49.96 71.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.42 -32.04 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 tp -73.35 -31.61 64.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 14' ' ' ILE . 94.1 t -72.45 -44.07 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.486 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 m -64.16 -29.03 46.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.77 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -64.96 -35.63 81.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.023 0.439 . . . . 0.0 109.892 179.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.9 m -74.84 -34.17 62.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.341 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.3 mm -67.79 -50.7 57.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.567 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.605 HG23 HG21 ' B' ' 23' ' ' ILE . 19.0 tt -60.88 -33.82 56.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.9 t -73.67 -35.37 65.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.92 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.9 tp -59.12 -41.55 88.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.2 -40.37 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.044 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.549 HD11 HD11 ' B' ' 27' ' ' ILE . 41.7 mt -68.27 -38.95 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.217 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.5 tp -57.76 -54.77 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.164 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -68.42 -37.86 78.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.299 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.2 ttm -56.74 -52.07 66.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp -74.03 -23.78 59.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.648 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -64.81 -24.36 67.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.644 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.864 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -61.51 -46.34 90.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.779 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 m -59.88 -35.11 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.662 0.268 . . . . 0.0 111.295 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' A' ' 9' ' ' VAL . 2.5 t -64.04 -51.8 64.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -58.62 -52.06 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.371 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.94 -38.85 75.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.376 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -68.35 -38.73 81.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.57 -57.04 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.38 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.45 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.7 tp -57.02 -39.48 66.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.323 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.7 tp -68.81 -34.22 75.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.21 84.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.363 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.39 -33.83 71.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.716 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 14' ' ' ILE . 81.1 t -69.33 -45.47 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.483 ' O ' HG12 ' B' ' 23' ' ' ILE . 35.8 m -70.08 -32.87 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.466 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 62.7 tp -57.57 -43.69 84.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.67 0.272 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.414 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 88.2 m -66.84 -38.1 85.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.318 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.5 -42.02 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.775 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.605 HG21 HG23 ' A' ' 23' ' ' ILE . 47.4 mm -59.82 -38.57 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.963 0.411 . . . . 0.0 110.358 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -72.65 -35.36 67.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.278 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 21' ' ' THR . 91.4 mt -65.77 -33.65 76.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.39 -40.81 87.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.549 HD11 HD11 ' A' ' 27' ' ' ILE . 8.1 mt -68.13 -40.78 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.89 -54.35 48.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.29 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.75 -36.67 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.448 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.9 ttp -60.12 -44.92 94.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 46.9 tp -77.43 -23.86 50.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.626 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -68.31 -32.09 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 179.881 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.908 0.295 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 10' ' ' VAL . 40.4 p90 -63.23 -15.24 56.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -56.89 -53.44 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.43 -35.75 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.523 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.616 HG11 HG22 ' B' ' 10' ' ' VAL . 42.4 t -59.66 -49.58 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.77 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.606 HG22 HG21 ' B' ' 9' ' ' VAL . 90.0 t -64.02 -52.49 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.638 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.14 -36.41 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.303 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -72.16 -39.83 68.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.012 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.56 -54.2 39.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.19 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 18' ' ' VAL . 77.2 mt -55.83 -49.12 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.166 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.3 tp -54.79 -49.2 71.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.28 -30.71 71.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.006 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 tp -73.07 -32.02 64.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.676 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 14' ' ' ILE . 90.7 t -72.47 -48.61 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.121 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 23' ' ' ILE . 7.1 p -60.27 -34.11 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.553 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.2 tm? -57.67 -43.45 85.03 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.9 m -68.21 -32.32 72.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.422 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mm -67.91 -39.16 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.742 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.438 HG13 HD11 ' B' ' 20' ' ' LEU . 47.6 mm -64.76 -48.99 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.1 p -69.43 -23.55 63.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.307 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -66.39 -47.82 72.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.383 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.4 mm -61.41 -39.72 83.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 23' ' ' ILE . 35.7 mm -70.28 -36.61 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.302 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 tp -56.98 -50.48 72.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.319 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 29' ' ' ILE . 2.2 mp -73.79 -39.01 51.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.246 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.8 ttp -57.89 -42.13 84.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 110.735 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.9 tp -79.66 -24.96 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.028 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -66.02 -26.72 67.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.545 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.753 179.881 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.532 ' O ' HG23 ' B' ' 10' ' ' VAL . 1.9 p90 . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 120.84 0.352 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -66.43 -40.74 89.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.92 -35.82 55.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.606 HG21 HG22 ' A' ' 10' ' ' VAL . 10.8 p -69.32 -36.79 73.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.616 HG22 HG11 ' A' ' 9' ' ' VAL . 98.9 t -67.44 -42.59 87.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.84 0.352 . . . . 0.0 110.693 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 89.6 mt -66.69 -36.43 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 72.7 m -69.29 -38.96 78.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.783 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -65.77 -54.24 29.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.457 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.419 HG23 ' N ' ' B' ' 15' ' ' LEU . 9.5 tp -59.37 -42.47 87.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.16 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.419 ' N ' HG23 ' B' ' 14' ' ' ILE . 60.6 tp -69.52 -27.59 65.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.048 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.95 -35.14 66.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.835 0.35 . . . . 0.0 110.577 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.94 -41.3 91.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.006 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.484 ' O ' HG12 ' B' ' 23' ' ' ILE . 26.3 m -75.62 -38.68 38.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.3 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 23' ' ' ILE . 42.0 tp -59.11 -29.87 67.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.76 0.314 . . . . 0.0 110.619 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -78.31 -40.42 36.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.493 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 98.1 mt -68.3 -37.57 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.484 HG12 ' O ' ' B' ' 19' ' ' VAL . 31.0 mm -58.89 -42.92 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 79.0 p -73.09 -34.56 66.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.309 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.53 -40.27 96.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.86 -43.76 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.432 HG12 ' O ' ' B' ' 23' ' ' ILE . 40.5 mm -67.65 -37.43 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.11 -53.71 55.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.065 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.58 -34.06 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.9 ttp -58.96 -41.09 86.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 50.1 tp -82.19 -24.64 34.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -68.3 -33.32 74.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.017 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.959 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' O ' HG23 ' A' ' 9' ' ' VAL . 36.5 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.778 0.241 . . . . 0.0 112.162 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' HG23 ' A' ' 10' ' ' VAL . 37.9 p90 -64.16 -16.1 61.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -57.52 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -72.12 -36.08 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.769 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.613 HG12 HG12 ' B' ' 9' ' ' VAL . 2.4 t -62.23 -52.16 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.591 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 6' ' ' PHE . 88.7 t -57.93 -55.75 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.9 mt -55.49 -35.59 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.679 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -70.98 -43.39 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.82 -52.39 60.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.338 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 18' ' ' VAL . 82.9 mt -57.46 -49.52 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.171 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 tp -53.5 -52.44 59.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.56 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.4 tp -72.23 -31.54 65.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.638 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 14' ' ' ILE . 84.6 t -72.97 -45.9 53.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.231 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 23' ' ' ILE . 34.2 m -64.09 -30.79 50.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.241 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -58.68 -40.26 83.05 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.582 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.5 m -70.65 -33.38 70.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.664 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -70.53 -36.77 67.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.879 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.548 HG21 HG23 ' B' ' 23' ' ' ILE . 36.4 mm -63.89 -45.96 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.014 0.435 . . . . 0.0 110.634 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.9 t -73.62 -25.9 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.295 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.8 tp -64.6 -46.38 82.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.241 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -62.73 -39.45 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.198 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.5 HD11 HD13 ' B' ' 27' ' ' ILE . 40.4 mm -72.05 -36.48 57.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.449 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.06 -42.83 86.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.797 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mm -79.29 -37.02 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.041 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.6 ttm -59.06 -44.89 91.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.714 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.4 tp -75.67 -30.59 59.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.43 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -61.18 -32.4 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.497 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.78 179.81 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.791 0.329 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -57.9 -50.93 71.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.496 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.7 m -59.3 -35.49 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.268 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.613 HG12 HG12 ' A' ' 9' ' ' VAL . 6.4 t -61.61 -51.54 71.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.881 0.372 . . . . 0.0 111.008 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.17 -54.14 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.61 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.8 mt -57.84 -37.35 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.326 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -70.32 -38.4 74.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.182 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -66.26 -55.89 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.59 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.426 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.3 tt -60.63 -38.64 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.384 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.1 -33.23 73.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.668 0.271 . . . . 0.0 110.982 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.16 -32.07 73.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -73.58 -33.49 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.614 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 14' ' ' ILE . 60.6 t -70.24 -41.07 78.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 31.5 m -73.71 -27.09 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.263 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 tp -71.59 -26.47 62.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.818 0.342 . . . . 0.0 110.494 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.418 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 88.2 m -83.74 -35.94 24.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.427 ' O ' HG13 ' B' ' 26' ' ' ILE . 97.8 mt -73.34 -40.36 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.707 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.548 HG23 HG21 ' A' ' 23' ' ' ILE . 18.6 tt -61.82 -36.05 71.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.406 ' HA ' HD12 ' B' ' 27' ' ' ILE . 83.8 p -74.07 -37.54 64.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.884 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 21' ' ' THR . 60.2 mt -61.55 -41.77 97.86 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 22' ' ' ILE . 85.5 mt -56.34 -39.62 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.015 0.436 . . . . 0.0 110.25 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.5 HD13 HD11 ' A' ' 27' ' ' ILE . 38.8 mt -68.71 -39.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.703 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -55.85 29.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.939 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.55 -32.02 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.091 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 32.0 ttm -58.73 -47.05 85.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.057 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.1 tp -81.89 -23.82 36.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -65.69 -35.4 80.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.863 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.881 0.284 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 10' ' ' VAL . 52.8 p90 -70.61 -16.42 62.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.25 -48.61 78.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.547 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.31 -35.77 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.447 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.561 HG12 HG12 ' B' ' 9' ' ' VAL . 2.6 t -62.6 -46.42 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.51 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 6' ' ' PHE . 95.7 t -64.15 -52.13 60.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.982 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -57.85 -41.77 80.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.752 0.311 . . . . 0.0 111.492 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -69.12 -38.82 79.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.249 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -66.99 -57.21 7.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.507 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -54.86 -47.08 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.513 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 tp -54.47 -38.0 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.16 89.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.63 -35.05 79.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.083 0.468 . . . . 0.0 110.446 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.82 -38.43 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.557 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.7 t -67.03 -43.3 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.416 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -57.9 -38.92 76.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.476 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -67.52 -34.71 77.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.97 -36.78 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.944 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.502 HG21 HG23 ' B' ' 23' ' ' ILE . 37.2 mm -63.39 -47.01 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.557 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 t -73.4 -24.14 60.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.635 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.76 -58.98 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 0.0 111.193 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.3 mt -54.19 -39.58 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.556 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.452 HD11 HD13 ' B' ' 27' ' ' ILE . 49.7 mm -70.45 -36.8 68.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.274 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 tp -57.83 -45.77 85.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.748 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.8 mt -78.52 -32.82 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.0 ttm -59.11 -42.95 91.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.307 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.9 tp -80.11 -25.74 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.245 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -62.67 -30.89 71.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.66 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.817 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.8 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.742 0.306 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -60.37 -53.26 59.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.5 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -58.38 -35.18 52.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.233 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.561 HG12 HG12 ' A' ' 9' ' ' VAL . 3.5 t -63.48 -47.26 92.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.321 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.48 -52.64 58.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.35 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -59.62 -37.18 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.122 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.1 m -69.77 -38.83 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.847 0.356 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -64.91 -55.07 21.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.516 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.411 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.5 tt -62.76 -41.66 93.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.618 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 tp -65.65 -33.32 75.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 110.768 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.71 84.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.4 -33.83 67.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.566 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.482 ' O ' HG12 ' B' ' 22' ' ' ILE . 71.6 t -67.05 -45.32 87.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.891 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.47 -31.29 42.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.374 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.416 ' CD1' HG13 ' A' ' 23' ' ' ILE . 42.2 tp -62.33 -31.48 72.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.826 0.346 . . . . 0.0 110.453 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.4 m -79.25 -36.04 40.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.297 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.482 HG12 ' O ' ' B' ' 18' ' ' VAL . 47.0 mm -66.66 -50.43 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.513 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.502 HG23 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -57.67 -32.3 42.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.555 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 37.9 t -73.22 -41.62 63.55 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.026 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.09 -39.58 95.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.119 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -57.98 -39.74 73.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.452 HD13 HD11 ' A' ' 27' ' ' ILE . 45.0 mt -66.3 -45.8 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.046 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.3 tp -57.63 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.399 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.82 -32.33 51.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.265 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 55.6 ttp -64.65 -47.5 78.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.6 tp -75.53 -23.95 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.724 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -68.46 -35.29 77.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.187 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 -179.864 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' VAL . 26.0 Cg_exo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.856 0.273 . . . . 0.0 112.246 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 10' ' ' VAL . 44.1 p90 -62.38 -15.7 50.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.06 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -56.88 -52.68 64.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.506 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.98 -35.46 54.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.705 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' B' ' 9' ' ' VAL . 2.7 t -61.33 -53.31 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.684 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 6' ' ' PHE . 99.2 t -59.52 -53.68 44.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.062 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -54.62 -41.62 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.657 0.265 . . . . 0.0 111.589 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -70.2 -39.55 75.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.44 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.9 -54.91 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.557 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.6 mt -54.7 -50.5 59.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.402 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.51 -36.05 66.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' B' ' 16' ' ' ALA . . . -66.12 -32.47 73.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.01 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.15 -31.85 64.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 22' ' ' ILE . 60.8 t -69.14 -48.19 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 23' ' ' ILE . 35.8 m -62.66 -33.44 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.533 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -58.61 -36.31 73.84 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -76.52 -34.2 58.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.483 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 18' ' ' VAL . 49.9 mm -65.93 -41.73 90.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.704 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.551 HG13 HD11 ' B' ' 20' ' ' LEU . 35.6 mm -69.85 -38.2 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -73.07 -27.95 62.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.5 tp -65.84 -37.53 86.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.703 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.1 mm -67.71 -40.53 84.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.578 HD11 HD11 ' B' ' 27' ' ' ILE . 20.2 mt -70.4 -37.3 70.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.053 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.06 -47.78 83.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.115 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.3 mm -76.91 -36.67 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.34 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.1 ttm -59.66 -42.68 93.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.725 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -80.63 -27.49 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.484 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -63.5 -31.74 72.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.783 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.809 0.337 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -65.92 -25.41 67.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.572 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.42 -35.78 76.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.682 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' A' ' 9' ' ' VAL . 3.4 t -71.57 -47.12 59.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.847 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -57.89 -53.58 43.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.252 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.14 -33.64 47.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.942 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -70.77 -39.2 73.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.73 -53.61 38.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.299 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.473 ' O ' HG23 ' B' ' 18' ' ' VAL . 32.3 mm -57.59 -53.43 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.25 -34.92 74.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.394 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' A' ' 16' ' ' ALA . . . -64.28 -40.77 96.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.504 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.93 -31.76 66.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.452 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 14' ' ' ILE . 69.1 t -68.37 -41.56 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.856 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.55 ' O ' HG12 ' B' ' 23' ' ' ILE . 32.7 m -76.13 -35.15 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.46 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.551 HD11 HG13 ' A' ' 23' ' ' ILE . 58.0 tp -57.28 -37.85 73.04 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.704 0.287 . . . . 0.0 110.533 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.413 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 51.6 m -71.75 -29.78 64.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.947 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.429 ' O ' HG13 ' B' ' 26' ' ' ILE . 97.0 mt -72.97 -37.39 53.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.712 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.55 HG12 ' O ' ' B' ' 19' ' ' VAL . 37.2 mm -62.61 -40.18 87.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.844 0.354 . . . . 0.0 110.36 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 82.7 p -73.36 -38.74 65.6 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.511 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 21' ' ' THR . 54.2 mt -59.3 -39.69 83.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.715 0.293 . . . . 0.0 110.966 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 22' ' ' ILE . 90.7 mt -62.13 -40.46 87.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.578 HD11 HD11 ' A' ' 27' ' ' ILE . 31.7 mt -65.8 -42.87 93.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.729 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.43 -59.23 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.164 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.411 HG22 HE21 ' B' ' 33' ' ' GLN . 56.4 mt -62.3 -32.87 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 36.0 ttm -58.93 -50.67 73.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.5 tp -76.67 -23.59 53.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.318 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 t90 -69.45 -38.78 77.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.411 HE21 HG22 ' B' ' 29' ' ' ILE . 40.6 mt-30 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.968 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.81 0.254 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 10' ' ' VAL . 46.9 p90 -71.14 -17.43 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.99 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -59.08 -47.81 83.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.23 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.1 -35.87 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.099 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 t -64.19 -49.61 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.584 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.588 HG22 HG21 ' B' ' 9' ' ' VAL . 91.0 t -61.13 -54.8 30.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.409 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -53.98 -35.81 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.282 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -72.25 -40.15 67.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.021 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -64.37 -56.67 12.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.415 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 18' ' ' VAL . 68.1 mt -55.27 -45.1 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -56.71 -49.26 75.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.1 71.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.086 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.84 -31.96 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 14' ' ' ILE . 96.1 t -73.21 -45.93 51.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.42 -30.62 49.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.056 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.6 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -59.74 -37.23 78.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.95 0.405 . . . . 0.0 110.169 179.697 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 m -75.83 -30.19 58.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.587 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mm -69.06 -44.58 81.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.859 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.584 HG13 HD11 ' B' ' 20' ' ' LEU . 49.8 mm -64.38 -43.11 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.24 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.2 p -72.75 -24.4 60.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.195 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.85 -53.65 25.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mt -56.18 -39.85 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.545 HD11 HD13 ' B' ' 27' ' ' ILE . 46.1 mm -69.73 -36.77 71.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.44 -49.45 77.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.753 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.4 mm -72.19 -31.89 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.4 ttm -62.36 -47.51 83.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.805 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.74 -35.14 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -62.38 -30.31 71.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.361 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.656 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.415 ' O ' HG23 ' B' ' 10' ' ' VAL . 17.4 t80 . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.783 0.325 . . . . 0.0 111.579 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -70.12 -34.15 72.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.761 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -72.18 -40.16 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.588 HG21 HG22 ' A' ' 10' ' ' VAL . 10.1 p -67.64 -37.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 6' ' ' PHE . 89.6 t -66.13 -42.96 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 111.089 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -70.36 -32.46 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -71.33 -38.43 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -66.95 -56.45 10.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.354 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.407 ' O ' HG23 ' B' ' 18' ' ' VAL . 7.8 tp -56.13 -40.64 65.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.501 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.458 ' O ' HG23 ' B' ' 19' ' ' VAL . 53.3 tp -69.41 -40.32 77.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.18 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.06 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.68 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.95 -36.85 80.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 14' ' ' ILE . 84.4 t -69.55 -38.21 76.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.6 HG12 HD21 ' A' ' 20' ' ' LEU . 88.8 t -67.02 -45.95 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.299 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.584 HD11 HG13 ' A' ' 23' ' ' ILE . 33.7 tp -57.63 -37.07 72.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.847 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.431 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 91.2 m -65.7 -42.57 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.258 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.421 ' O ' HG13 ' B' ' 26' ' ' ILE . 46.6 mm -65.77 -44.5 93.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.45 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.452 HG12 ' O ' ' B' ' 19' ' ' VAL . 28.9 mm -56.62 -37.96 55.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.531 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -71.28 -41.46 69.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.243 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 21' ' ' THR . 97.0 mt -61.2 -39.32 89.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.227 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 22' ' ' ILE . 81.2 mt -59.5 -45.64 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.369 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.545 HD13 HD11 ' A' ' 27' ' ' ILE . 41.7 mt -65.86 -39.88 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.316 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.1 -57.66 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.317 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mt -64.93 -32.42 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.282 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.0 ttp -61.88 -46.88 87.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.015 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 42.6 tp -79.18 -23.68 43.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -67.3 -34.66 77.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.991 -179.705 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HG2' HG23 ' A' ' 8' ' ' VAL . 28.6 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.823 0.259 . . . . 0.0 112.23 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -68.58 -19.9 64.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -59.69 -45.13 93.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.467 HG23 ' HG2' ' A' ' 5' ' ' PRO . 59.9 t -62.17 -36.03 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.676 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG12 ' B' ' 9' ' ' VAL . 3.3 t -65.26 -42.54 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.811 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.71 -50.94 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.609 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.3 mt -57.57 -37.65 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.85 0.357 . . . . 0.0 111.246 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -72.1 -38.73 69.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -55.74 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.318 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.3 mt -54.89 -48.56 74.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.271 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 tp -57.05 -34.36 68.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.682 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' B' ' 16' ' ' ALA . . . -66.48 -32.61 74.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.182 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.43 -31.83 65.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.737 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 22' ' ' ILE . 48.3 t -68.78 -48.24 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.311 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.6 m -64.13 -31.83 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.74 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.541 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -68.03 -32.71 73.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 109.968 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.8 m -78.14 -35.09 49.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.513 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 18' ' ' VAL . 46.8 mm -69.64 -44.73 79.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.593 HG23 HG21 ' B' ' 23' ' ' ILE . 17.3 tt -64.65 -36.86 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -73.57 -32.01 63.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.03 -37.59 87.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -65.2 -40.85 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.507 HD11 HD11 ' B' ' 27' ' ' ILE . 43.6 mt -69.34 -36.68 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.46 -55.4 35.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.157 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -68.79 -38.42 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.512 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.3 ttm -57.73 -51.47 69.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.902 0.382 . . . . 0.0 110.556 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.8 tp -70.92 -26.06 63.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.681 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -68.62 -18.85 64.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.354 -179.755 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 p90 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.811 0.339 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -58.11 -51.22 70.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.222 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.8 m -62.78 -35.02 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.476 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.519 HG12 HG12 ' A' ' 9' ' ' VAL . 2.8 t -62.2 -51.2 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.777 0.322 . . . . 0.0 111.292 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.38 -48.33 89.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.469 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.96 -37.93 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.455 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 40.8 t -71.14 -38.58 72.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.203 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.11 75.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.66 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.456 ' O ' HG23 ' B' ' 18' ' ' VAL . 20.2 tt -71.23 -38.01 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.621 0.248 . . . . 0.0 111.597 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 tp -68.08 -38.65 82.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.426 ' CB ' ' HB1' ' A' ' 16' ' ' ALA . . . -63.63 -36.05 82.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.396 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.83 -32.22 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.956 0.408 . . . . 0.0 110.469 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 14' ' ' ILE . 59.4 t -69.32 -42.99 81.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.695 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.489 ' O ' HG12 ' B' ' 23' ' ' ILE . 30.1 m -73.47 -31.77 34.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.379 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.59 -42.1 82.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.811 0.338 . . . . 0.0 110.466 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 62.7 m -68.2 -30.29 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.267 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.447 ' O ' HG13 ' B' ' 26' ' ' ILE . 82.6 mt -73.7 -39.64 53.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.751 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.593 HG21 HG23 ' A' ' 23' ' ' ILE . 49.2 mm -61.52 -39.56 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.422 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 87.4 p -73.05 -38.25 66.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.966 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.33 -40.17 89.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 22' ' ' ILE . 90.0 mt -60.76 -39.72 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 27' ' ' ILE . 21.8 mt -65.94 -39.64 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.908 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.2 -58.26 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.209 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 21.4 mm -60.67 -37.81 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.36 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 37.6 ttm -57.79 -51.19 70.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.039 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 35.2 tp -75.08 -23.41 58.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -66.29 -39.17 89.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.289 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.283 -179.614 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo . . . . . 0 CA--C 1.526 0.119 0 CA-C-O 120.735 0.223 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.41 ' O ' HG23 ' A' ' 10' ' ' VAL . 40.0 p90 -65.13 -17.35 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 7' ' ' LYS . 5.7 mtpm? -59.32 -48.57 81.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.219 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.18 -35.57 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.188 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.498 HG12 HG12 ' B' ' 9' ' ' VAL . 2.5 t -63.47 -44.83 98.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.249 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 6' ' ' PHE . 92.8 t -67.54 -54.73 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.676 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.8 mt -53.28 -38.27 30.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.383 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -71.39 -41.2 69.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.055 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.83 -57.13 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.484 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -55.25 -46.03 77.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.045 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 19' ' ' VAL . 56.2 tp -55.04 -39.51 69.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.789 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.89 95.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.243 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.6 mm? -61.84 -36.83 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.615 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 22' ' ' ILE . 64.2 t -65.13 -43.02 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.716 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.544 HG12 HD21 ' B' ' 20' ' ' LEU . 79.8 t -63.03 -41.87 94.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.509 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.492 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.4 tm? -57.42 -41.56 80.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 110.325 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -64.42 -33.46 75.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 18' ' ' VAL . 48.7 mm -70.49 -45.17 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.842 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.721 HG21 HG23 ' B' ' 23' ' ' ILE . 42.8 mm -61.69 -46.4 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -67.75 -31.73 71.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.39 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.84 -46.72 86.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.984 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.0 mt -61.21 -39.23 81.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.516 HD11 HD11 ' B' ' 27' ' ' ILE . 49.8 mt -66.89 -39.28 83.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.022 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.68 -45.57 93.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.172 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.37 -43.07 50.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.374 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.6 ttm -58.78 -39.09 80.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.1 tp -81.14 -29.26 34.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.527 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.1 t90 -63.0 -32.27 73.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.462 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.774 179.596 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 17.7 p90 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.781 0.324 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -57.9 -50.45 73.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.319 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.9 m -61.52 -35.27 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.518 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.498 HG12 HG12 ' A' ' 9' ' ' VAL . 3.5 t -63.8 -50.16 78.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.779 0.323 . . . . 0.0 111.084 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -59.32 -48.05 88.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.525 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.41 -36.29 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.308 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -69.57 -39.03 77.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.94 -56.29 10.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.321 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.454 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.3 tp -56.43 -41.25 71.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.404 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 tp -69.17 -35.95 76.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.217 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.42 87.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.336 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.68 -32.49 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.838 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 14' ' ' ILE . 96.9 t -68.7 -43.33 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.129 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.71 -21.77 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.605 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.544 HD21 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -68.77 -34.0 74.83 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.936 0.398 . . . . 0.0 110.471 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 44.5 m -80.75 -36.97 31.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.519 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.72 -39.68 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.721 HG23 HG21 ' A' ' 23' ' ' ILE . 19.2 tt -65.27 -36.42 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 78.6 p -74.03 -39.7 63.38 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 46.2 mt -58.64 -36.8 74.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.02 -39.79 79.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.371 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.516 HD11 HD11 ' A' ' 27' ' ' ILE . 20.6 mt -66.67 -43.87 90.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.833 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.4 tp -56.57 -58.11 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.3 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.0 -37.39 78.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.316 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.6 ttp -61.67 -40.6 95.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.771 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -82.02 -23.51 35.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -69.09 -31.66 70.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.569 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.499 179.6 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.81 0.254 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.417 ' O ' HG23 ' A' ' 10' ' ' VAL . 48.8 p90 -67.4 -15.95 63.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.746 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.51 -52.58 64.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.206 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.61 -35.85 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.346 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.428 HG11 HG22 ' B' ' 10' ' ' VAL . 61.9 t -60.41 -51.84 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.633 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.467 HG22 HG21 ' B' ' 9' ' ' VAL . 73.6 t -63.26 -48.64 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.833 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.0 mt -58.71 -38.06 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.426 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -71.27 -38.64 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.046 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.66 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -66.04 -57.34 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.451 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.6 mt -54.6 -41.92 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.09 -38.04 81.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.07 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.47 86.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.064 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.4 -40.13 96.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.09 -34.68 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.468 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.7 t -72.09 -39.98 66.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.396 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -57.59 -38.05 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.108 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -71.13 -44.74 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.89 -42.37 92.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.638 HG13 HD11 ' B' ' 20' ' ' LEU . 39.1 mm -65.55 -43.01 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 t -73.52 -19.51 60.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.317 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.1 tp -76.65 -54.58 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.484 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mt -57.11 -39.81 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.348 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 tp -71.52 -36.23 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.0 tp -58.15 -47.86 82.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.609 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.9 mm -71.2 -32.09 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.796 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.59 -46.25 90.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.0 tp -76.99 -27.06 54.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.4 t90 -64.09 -28.45 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.238 -179.87 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.493 ' O ' HG23 ' B' ' 10' ' ' VAL . 2.3 p90 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 121.063 0.459 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -65.47 -30.2 70.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.108 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 t -72.55 -42.94 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.79 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.467 HG21 HG22 ' A' ' 10' ' ' VAL . 11.3 p -69.72 -33.95 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.767 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 6' ' ' PHE . 71.0 t -66.7 -51.65 53.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.737 0.304 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.62 -34.11 65.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -70.07 -38.42 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.66 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -61.83 -57.03 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.54 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.438 ' O ' HG23 ' B' ' 18' ' ' VAL . 16.4 tt -59.64 -42.22 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.467 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 tp -65.88 -28.76 69.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.82 89.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.301 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.78 -32.8 63.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 14' ' ' ILE . 91.3 t -67.11 -42.91 88.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.472 ' O ' HG12 ' B' ' 23' ' ' ILE . 29.2 m -72.15 -34.45 49.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.301 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.638 HD11 HG13 ' A' ' 23' ' ' ILE . 55.5 tp -58.2 -41.29 83.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.945 0.403 . . . . 0.0 110.481 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.4 m -68.06 -35.72 78.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.68 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -70.68 -37.73 70.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.472 HG12 ' O ' ' B' ' 19' ' ' VAL . 32.6 mm -61.63 -39.1 81.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 110.227 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.2 t -73.28 -37.54 66.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.27 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.57 -42.37 95.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.295 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 98.4 mt -60.46 -39.58 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.892 0.377 . . . . 0.0 110.992 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 82.8 mt -72.92 -37.31 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.307 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.71 -54.18 46.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mt -64.53 -37.01 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.396 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.2 ttp -59.34 -49.63 77.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.988 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 tp -71.13 -27.85 63.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 60.5 t90 -72.74 -22.95 60.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.017 -179.813 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo . . . . . 0 C--O 1.23 0.103 0 CA-C-O 120.82 0.258 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 10' ' ' VAL . 33.7 p90 -68.61 -15.66 63.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -57.13 -51.72 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.315 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.22 -35.45 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.441 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.501 HG11 HG22 ' B' ' 10' ' ' VAL . 43.7 t -60.69 -49.73 83.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.749 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.509 HG22 HG21 ' B' ' 9' ' ' VAL . 96.4 t -62.04 -50.52 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.538 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.7 mt -56.34 -46.21 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.258 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -63.88 -38.76 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.703 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.01 -56.26 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.469 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -54.62 -44.87 71.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.353 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.64 -35.05 73.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.611 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.0 73.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.19 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.71 -33.83 66.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.47 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 22' ' ' ILE . 58.0 t -67.88 -52.6 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.763 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.85 -36.64 67.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.441 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.446 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -57.72 -44.03 85.69 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.687 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.8 m -68.64 -37.97 80.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.787 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 18' ' ' VAL . 41.9 mm -61.52 -41.52 90.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.757 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.442 HG13 HD11 ' B' ' 20' ' ' LEU . 44.4 mm -63.57 -44.65 98.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -72.37 -20.11 61.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.302 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -76.74 -40.5 48.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.34 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mm -62.91 -43.45 98.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 111.284 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.661 HG12 HD12 ' B' ' 27' ' ' ILE . 2.8 mp -76.39 -36.49 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.607 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.4 tp -50.09 -44.3 51.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.953 0.406 . . . . 0.0 110.397 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -79.56 -31.44 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.654 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 39.5 ttm -59.06 -52.04 67.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.964 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.3 tp -73.35 -24.05 60.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.689 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -65.69 -27.13 68.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.326 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.987 179.796 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.449 ' O ' HG23 ' B' ' 10' ' ' VAL . 2.2 p90 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -67.53 -26.38 66.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.778 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.5 t -72.21 -44.35 64.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.383 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.509 HG21 HG22 ' A' ' 10' ' ' VAL . 14.2 p -71.24 -31.25 43.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.355 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.501 HG22 HG11 ' A' ' 9' ' ' VAL . 53.8 t -69.1 -50.81 49.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 110.647 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.46 -37.31 79.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.621 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.0 t -67.26 -38.41 85.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.7 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.703 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -65.3 -57.5 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.501 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.483 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.0 tp -58.08 -41.05 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.288 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -69.49 -30.88 68.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 111.005 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.61 89.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.472 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 17' ' ' LEU . 4.5 mm? -71.68 -31.68 67.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.436 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 14' ' ' ILE . 83.4 t -66.94 -49.48 73.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.455 ' O ' HG12 ' B' ' 23' ' ' ILE . 24.5 m -62.91 -35.91 73.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.635 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.442 HD11 HG13 ' A' ' 23' ' ' ILE . 57.4 tp -57.87 -33.35 68.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.696 0.284 . . . . 0.0 110.732 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -74.26 -44.05 54.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.244 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.75 -36.92 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.471 ' O ' HG12 ' B' ' 27' ' ' ILE . 28.9 mm -62.68 -46.27 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.3 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.3 m -65.47 -36.94 85.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.056 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.73 -46.73 81.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.214 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.62 -40.0 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.882 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.661 HD12 HG12 ' A' ' 27' ' ' ILE . 39.7 mm -69.31 -43.5 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.219 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.51 -58.92 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 36.4 mm -56.85 -34.56 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.418 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.9 ttp -65.87 -43.63 87.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.256 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.5 tp -75.05 -23.64 58.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -71.85 -38.24 70.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.907 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HG2' HG23 ' A' ' 8' ' ' VAL . 35.1 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.74 0.225 . . . . 0.0 112.175 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.425 ' O ' HG23 ' A' ' 10' ' ' VAL . 55.8 p90 -65.59 -19.74 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -59.89 -46.79 88.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.464 HG23 ' HG2' ' A' ' 5' ' ' PRO . 57.7 t -64.99 -35.49 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.816 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.5 HG12 HG12 ' B' ' 9' ' ' VAL . 6.6 t -64.92 -48.38 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.308 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 6' ' ' PHE . 93.8 t -61.1 -50.69 79.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.571 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.3 mt -56.09 -39.25 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.381 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -70.61 -38.93 74.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.29 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.85 -54.84 18.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.556 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.4 mt -55.22 -52.66 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.366 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 tp -53.78 -36.4 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -33.8 76.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.372 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.7 mt -73.08 -32.57 65.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.417 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 22' ' ' ILE . 56.0 t -68.53 -46.58 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.917 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.41 -38.78 83.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.459 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.2 tm? -58.3 -37.81 75.8 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.3 m -73.54 -35.59 65.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.602 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 18' ' ' VAL . 33.7 mm -63.84 -41.37 92.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.389 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -66.44 -42.61 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.618 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.5 t -70.28 -26.39 63.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.401 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 tp -67.63 -52.45 38.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.994 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.68 -39.79 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.516 HD13 HD11 ' B' ' 27' ' ' ILE . 50.6 mt -65.73 -41.67 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.279 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.6 tp -56.32 -51.84 66.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.038 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.2 mt -69.76 -32.99 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.8 ttm -61.36 -43.93 98.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.445 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.1 tp -79.06 -29.61 43.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.458 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -60.56 -33.95 73.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.748 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.764 179.797 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.423 ' O ' HG23 ' B' ' 10' ' ' VAL . 11.2 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.604 0.24 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.04 -48.16 79.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.604 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.71 -35.02 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.35 . . . . 0.0 110.995 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.5 HG12 HG12 ' A' ' 9' ' ' VAL . 2.7 t -64.71 -48.76 83.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 6' ' ' PHE . 87.8 t -58.04 -53.29 47.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.198 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.4 mm -59.81 -38.61 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.385 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -68.13 -38.81 82.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.05 -57.28 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.436 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tp -57.09 -41.73 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.428 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.08 -34.37 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.146 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.52 -34.37 78.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.266 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 17' ' ' LEU . 4.2 mm? -72.18 -32.41 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.396 . . . . 0.0 110.636 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.406 ' O ' HG12 ' B' ' 22' ' ' ILE . 97.6 t -69.03 -47.51 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.955 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -65.49 -30.84 51.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.173 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.94 -51.01 71.88 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.83 0.348 . . . . 0.0 110.562 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.423 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 88.9 m -64.41 -35.8 82.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.257 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.406 HG12 ' O ' ' B' ' 18' ' ' VAL . 31.9 mm -64.05 -39.74 86.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.695 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.446 HD12 ' CD2' ' A' ' 20' ' ' LEU . 5.1 mt -65.83 -37.06 79.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.805 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.5 m -73.59 -34.21 64.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' B' ' 21' ' ' THR . 86.0 mt -67.72 -42.9 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.397 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.38 -43.17 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.704 0.288 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.516 HD11 HD13 ' A' ' 27' ' ' ILE . 49.3 mm -66.16 -43.44 92.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.373 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.35 -54.79 42.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.407 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 54.3 mt -65.5 -31.16 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.358 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.8 ttp -66.73 -43.36 84.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 43.8 tp -79.63 -23.3 42.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -68.4 -38.14 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.929 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.254 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.839 0.266 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' HG23 ' A' ' 10' ' ' VAL . 46.8 p90 -66.98 -18.23 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.598 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -59.72 -46.23 89.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.275 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -65.46 -35.74 76.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.568 HG12 HG12 ' B' ' 9' ' ' VAL . 2.1 t -64.89 -44.08 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 6' ' ' PHE . 89.2 t -66.25 -57.4 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.522 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.4 mt -53.02 -38.96 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.564 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -70.41 -42.29 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -62.28 -54.64 37.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.198 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.5 mm -55.32 -45.08 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.291 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.0 tp -59.04 -36.5 75.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.013 0.435 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.96 -30.78 70.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.228 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.05 -46.93 40.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.565 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 m -60.78 -39.69 82.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.545 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' HG12 ' A' ' 23' ' ' ILE . 33.8 m -69.03 -36.14 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.944 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.437 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.9 tm? -57.7 -44.71 86.08 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.4 m -63.95 -34.95 79.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.53 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.73 -35.83 71.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.531 HG21 HG23 ' B' ' 23' ' ' ILE . 45.3 mm -63.71 -48.77 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.984 0.421 . . . . 0.0 110.554 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.7 p -73.72 -21.28 60.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.461 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.63 -47.9 71.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.35 -39.68 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.965 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.461 HD11 HD13 ' B' ' 27' ' ' ILE . 42.9 mm -73.01 -36.43 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.43 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -56.97 -46.71 82.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.58 -32.22 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.031 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.8 ttm -59.33 -50.89 72.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.2 tp -73.27 -29.89 63.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.396 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -63.89 -32.36 73.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.459 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.328 179.714 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.407 ' O ' HG23 ' B' ' 10' ' ' VAL . 44.4 p90 . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.763 0.316 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.426 ' O ' HG12 ' B' ' 11' ' ' ILE . 5.5 tppp? -57.45 -51.98 67.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.26 -35.46 74.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.707 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.568 HG12 HG12 ' A' ' 9' ' ' VAL . 8.1 t -61.54 -55.54 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.785 0.326 . . . . 0.0 111.469 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 6' ' ' PHE . 87.5 t -55.59 -49.21 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.746 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 7' ' ' LYS . 43.8 mm -61.79 -41.04 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.244 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.4 t -66.64 -38.54 87.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.301 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -68.7 -54.94 13.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.411 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.464 ' O ' HG23 ' B' ' 18' ' ' VAL . 9.3 tp -59.0 -41.57 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.348 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.404 ' N ' HG23 ' B' ' 14' ' ' ILE . 56.1 tp -69.22 -37.57 78.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.351 . . . . 0.0 111.322 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.427 ' O ' HG22 ' B' ' 19' ' ' VAL . . . -63.69 -38.6 91.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.802 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.94 -31.56 72.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.892 0.377 . . . . 0.0 110.559 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 14' ' ' ILE . 92.9 t -70.9 -47.46 62.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.052 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 16' ' ' ALA . 20.1 m -65.77 -29.24 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.478 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 52.8 tp -67.41 -26.57 66.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.884 0.373 . . . . 0.0 110.366 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 86.0 m -83.55 -42.23 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.462 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.73 -42.06 91.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.587 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.531 HG23 HG21 ' A' ' 23' ' ' ILE . 18.8 tt -61.98 -38.68 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 89.1 p -73.74 -32.43 63.85 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.506 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 36.1 mt -65.6 -41.14 93.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.12 -39.72 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.578 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.461 HD13 HD11 ' A' ' 27' ' ' ILE . 47.0 mt -67.37 -44.23 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.005 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.24 -52.34 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.068 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 98.8 mt -67.13 -33.4 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.1 ttp -62.2 -42.23 99.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 37.7 tp -78.69 -23.86 45.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.8 t90 -69.61 -33.44 72.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.16 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.864 0.277 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.567 ' HA ' HG22 ' A' ' 9' ' ' VAL . 52.3 p90 -69.71 -15.4 63.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.971 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.14 -47.86 80.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.924 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.0 t -72.8 -42.65 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.567 HG22 ' HA ' ' A' ' 6' ' ' PHE . 19.3 m -66.73 -34.51 70.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.2 p -71.44 -41.94 73.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.113 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -70.3 -34.34 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.389 . . . . 0.0 110.711 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -71.88 -38.6 69.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.692 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.27 -53.87 37.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 18' ' ' VAL . 80.8 mt -55.0 -48.33 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.88 -37.61 71.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.8 72.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.004 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.35 -31.81 64.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.408 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 14' ' ' ILE . 59.8 t -69.0 -41.4 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 23' ' ' ILE . 30.8 m -73.41 -30.48 30.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.611 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.663 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -58.45 -38.36 77.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.914 0.387 . . . . 0.0 110.055 179.501 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.1 m -74.94 -34.01 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.959 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.5 -46.58 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.0 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.597 ' HB ' HD12 ' B' ' 23' ' ' ILE . 46.6 mm -57.92 -47.12 87.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -73.14 -23.76 60.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.536 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.01 -49.83 64.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.772 0.32 . . . . 0.0 111.15 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.1 mm -57.06 -39.6 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.434 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.472 HD11 HD13 ' B' ' 27' ' ' ILE . 25.8 mm -73.18 -36.86 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.511 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.83 -43.85 81.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.886 0.374 . . . . 0.0 110.576 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -79.45 -32.36 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.3 ttm -60.04 -49.92 75.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -75.12 -29.92 60.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -61.59 -30.41 70.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.669 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.827 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.024 0.44 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -58.23 -52.89 63.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.393 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.7 m -59.36 -35.54 58.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.425 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t -63.74 -49.52 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.401 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.37 -47.89 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.77 -35.62 68.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.233 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.5 t -68.08 -38.71 82.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.02 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -68.92 -51.79 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.666 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.415 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.7 tp -62.1 -39.88 85.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.55 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 19' ' ' VAL . 60.7 tp -69.09 -42.33 76.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.22 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.51 89.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.567 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.41 -36.78 81.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.929 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.462 ' O ' HG12 ' B' ' 22' ' ' ILE . 98.5 t -68.42 -40.11 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.663 HG12 HD21 ' A' ' 20' ' ' LEU . 72.4 t -67.45 -39.92 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.471 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.726 HD12 HD11 ' B' ' 23' ' ' ILE . 60.5 tp -57.61 -31.94 66.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.736 0.303 . . . . 0.0 110.738 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 59.7 m -78.52 -32.3 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.509 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.462 HG12 ' O ' ' B' ' 18' ' ' VAL . 46.8 mm -69.95 -46.78 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.726 HD11 HD12 ' B' ' 20' ' ' LEU . 30.3 pt -64.02 -32.71 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 94.0 p -72.43 -39.03 68.17 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.2 -39.25 92.59 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.709 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.71 -40.77 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.073 0.463 . . . . 0.0 110.577 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.472 HD13 HD11 ' A' ' 27' ' ' ILE . 53.1 mt -66.92 -46.1 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.951 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.5 tp -55.51 -56.44 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.999 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -62.88 -31.08 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.195 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 30.2 ttm -64.78 -44.64 89.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 49.4 tp -78.86 -23.72 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -69.52 -35.06 75.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.721 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.854 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.696 0.207 . . . . 0.0 112.099 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 10' ' ' VAL . 43.4 p90 -71.22 -17.15 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 11' ' ' ILE . 99.3 mttt -57.98 -53.65 55.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.227 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -58.07 -35.06 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.603 HG12 HG12 ' B' ' 9' ' ' VAL . 2.8 t -64.99 -44.24 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 6' ' ' PHE . 67.2 t -66.64 -48.03 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.534 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 7' ' ' LYS . 45.2 mm -58.07 -38.82 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.217 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.6 m -72.03 -39.8 68.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.208 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.86 -57.44 8.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.446 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 18' ' ' VAL . 86.6 mt -54.61 -46.55 72.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.83 -38.08 69.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.704 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.22 -33.58 76.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.042 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.19 -34.19 70.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.658 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 14' ' ' ILE . 47.0 t -67.04 -47.91 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 m -66.73 -31.06 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.417 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.755 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -57.99 -40.6 81.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.993 0.425 . . . . 0.0 110.226 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -73.72 -37.37 65.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.792 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.2 mt -64.77 -37.54 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.536 HG13 HD11 ' B' ' 20' ' ' LEU . 29.1 mm -66.81 -45.84 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.022 0.439 . . . . 0.0 110.457 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -73.43 -18.47 61.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.231 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.6 tp -75.43 -49.0 20.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.221 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.26 -41.68 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.536 HD13 HG23 ' B' ' 27' ' ' ILE . 10.2 tp -73.41 -36.26 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.184 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 tp -57.09 -50.23 73.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.938 0.399 . . . . 0.0 110.399 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mm -70.14 -34.57 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.751 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 44.0 ttm -60.71 -42.54 97.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.755 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.7 tp -79.29 -30.29 42.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.601 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -59.58 -35.03 73.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.579 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.633 179.559 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.945 0.402 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.412 ' O ' HG12 ' B' ' 11' ' ' ILE . 37.6 ttpt -58.01 -33.69 69.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 t -68.6 -36.06 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.603 HG12 HG12 ' A' ' 9' ' ' VAL . 6.5 t -69.67 -40.04 78.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.563 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.25 -56.39 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.77 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.412 HG12 ' O ' ' B' ' 7' ' ' LYS . 13.5 pt -60.89 -38.97 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.615 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -66.18 -38.11 87.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.13 -56.17 12.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.428 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.436 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.3 tp -60.51 -40.66 85.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.132 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.414 ' O ' HG23 ' B' ' 19' ' ' VAL . 60.5 tp -66.29 -36.72 83.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.56 96.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.178 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.38 -39.62 93.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.551 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 14' ' ' ILE . 95.5 t -63.36 -35.58 72.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.164 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.755 HG12 HD21 ' A' ' 20' ' ' LEU . 76.4 t -70.62 -42.83 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.056 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.536 HD11 HG13 ' A' ' 23' ' ' ILE . 52.3 tp -57.72 -33.88 68.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.688 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 68.3 m -72.93 -42.17 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.211 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.417 ' O ' HG13 ' B' ' 26' ' ' ILE . 38.8 mm -61.42 -42.92 95.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.517 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.452 HG12 ' O ' ' B' ' 19' ' ' VAL . 32.0 mm -61.74 -38.85 81.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.759 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.0 t -70.14 -35.64 74.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.428 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.48 -43.56 72.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 22' ' ' ILE . 96.3 mt -58.19 -43.29 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.536 HG23 HD13 ' A' ' 27' ' ' ILE . 87.2 mt -69.89 -38.26 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.63 -56.67 18.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.254 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 75.5 mt -64.32 -36.85 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.574 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.1 ttp -59.37 -39.05 82.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 tp -81.68 -23.88 36.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.652 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -67.97 -39.15 83.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.174 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.138 -179.827 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo . . . . . 0 C--O 1.23 0.104 0 CA-C-O 120.724 0.218 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -67.45 -17.05 64.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.82 -44.9 93.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.069 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.25 -36.0 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.294 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.443 HG12 HG12 ' B' ' 9' ' ' VAL . 2.3 t -64.12 -45.77 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.042 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.3 t -65.91 -55.53 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.449 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.2 mt -54.85 -37.72 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.369 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -70.46 -43.25 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -56.08 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -55.07 -41.87 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -56.52 -52.65 63.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.438 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.92 -32.97 70.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.304 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.22 -41.01 99.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.686 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.04 -34.19 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.802 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 15' ' ' LEU . 60.0 t -68.67 -37.58 77.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.521 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.536 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.66 -32.61 74.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -74.94 -35.23 62.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.09 -43.3 51.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.994 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.615 HG23 HG21 ' B' ' 23' ' ' ILE . 9.0 tp -63.37 -38.97 83.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -73.99 -29.88 62.19 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.6 -39.02 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mm -62.19 -39.69 84.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.48 HD11 HD11 ' B' ' 27' ' ' ILE . 32.8 mt -71.44 -38.73 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.117 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.54 -46.2 89.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mm -75.23 -32.81 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.272 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.5 ttm -65.47 -43.85 89.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.203 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -78.32 -34.55 48.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.628 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -60.3 -32.35 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.628 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.757 0.313 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -58.7 -35.65 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.779 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.412 HG23 ' H ' ' B' ' 8' ' ' VAL . 2.6 t -67.38 -35.76 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.052 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.443 HG12 HG12 ' A' ' 9' ' ' VAL . 3.5 t -68.29 -49.54 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.51 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.25 -55.68 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.88 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.62 -40.09 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.483 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.0 t -66.62 -38.25 86.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.218 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.43 -57.37 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.791 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.415 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.0 tt -59.94 -42.67 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.683 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.401 ' N ' HG23 ' B' ' 14' ' ' ILE . 64.2 tp -63.25 -34.23 77.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.79 0.328 . . . . 0.0 110.811 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.0 82.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.354 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.93 -37.04 67.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.577 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 14' ' ' ILE . 96.5 t -65.46 -43.23 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.43 ' O ' HG12 ' B' ' 23' ' ' ILE . 33.7 m -72.39 -32.04 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.394 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -57.51 -42.95 83.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.891 0.377 . . . . 0.0 110.326 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 61.7 m -66.91 -34.03 76.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.097 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.425 ' O ' HG13 ' B' ' 26' ' ' ILE . 43.9 mm -65.4 -46.2 90.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.595 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.615 HG21 HG23 ' A' ' 23' ' ' ILE . 49.3 mm -58.58 -36.7 60.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.7 m -71.12 -42.27 69.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.384 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.31 -35.86 80.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.219 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 22' ' ' ILE . 91.5 mt -62.54 -40.39 88.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.715 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.48 HD11 HD11 ' A' ' 27' ' ' ILE . 28.2 mt -70.72 -41.16 77.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.06 -55.66 30.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.244 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.5 mt -66.52 -37.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.419 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.4 ttp -57.2 -45.78 83.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.27 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 28.3 tp -79.79 -25.85 40.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -64.62 -34.89 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.724 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.555 179.818 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.837 0.265 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.459 ' HA ' HG12 ' A' ' 9' ' ' VAL . 52.0 p90 -67.4 -15.78 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -57.06 -43.92 82.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.5 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.5 t -72.19 -42.59 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.474 HG21 HG22 ' B' ' 10' ' ' VAL . 9.1 p -66.18 -34.62 71.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 6' ' ' PHE . 75.3 t -71.4 -53.79 19.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.718 0.294 . . . . 0.0 111.022 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -57.21 -39.28 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.961 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -67.06 -38.96 86.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.878 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -64.57 -54.14 36.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -55.44 -45.92 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.174 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.9 tp -58.47 -37.99 76.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.92 -31.94 73.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.79 -37.2 65.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.19 -40.98 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.347 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.8 p -71.48 -29.34 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.531 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CD1' HG13 ' B' ' 23' ' ' ILE . 46.5 tp -69.53 -25.74 64.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 110.715 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.9 m -83.24 -35.51 25.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.528 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.6 mt -72.77 -40.13 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.517 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.625 HG23 HG21 ' B' ' 23' ' ' ILE . 7.9 tp -64.55 -39.15 84.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.418 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.2 t -74.61 -31.31 61.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.974 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.94 -44.07 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.123 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.8 -39.67 84.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.564 HD11 HD11 ' B' ' 27' ' ' ILE . 59.3 mt -68.33 -38.59 79.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.254 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.49 -50.7 72.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.2 mm -70.58 -37.37 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.237 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.9 ttm -60.2 -51.46 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.826 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.5 tp -70.47 -26.82 63.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -64.93 -26.89 68.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.96 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 p90 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.838 0.351 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -59.04 -47.66 84.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.861 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.7 m -62.42 -35.24 68.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.663 0.268 . . . . 0.0 111.33 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.79 -49.52 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.687 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.474 HG22 HG21 ' A' ' 9' ' ' VAL . 53.5 t -60.81 -48.85 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.526 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.3 -34.93 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.395 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -70.94 -38.84 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.143 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -65.7 -53.2 44.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.587 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.447 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.2 tt -62.08 -39.02 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.429 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.9 tp -69.46 -31.73 70.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.014 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.24 82.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.494 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -73.21 -36.63 66.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.797 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 14' ' ' ILE . 96.4 t -64.24 -42.51 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.453 ' O ' HG12 ' B' ' 23' ' ' ILE . 32.9 m -74.31 -34.71 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.409 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.46 -43.93 84.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.71 0.291 . . . . 0.0 110.512 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -66.37 -32.8 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 0.0 110.102 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 26' ' ' ILE . 96.6 mt -70.46 -34.81 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.376 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.625 HG21 HG23 ' A' ' 23' ' ' ILE . 38.0 mm -64.07 -41.22 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.408 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 81.6 p -72.06 -38.39 69.47 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.49 -34.78 74.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.652 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 22' ' ' ILE . 96.7 mt -65.31 -40.67 89.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.76 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 27' ' ' ILE . 38.4 mt -69.42 -42.5 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -55.92 -57.58 11.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.205 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.94 -30.66 51.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 36.6 ttm -61.39 -52.1 66.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 50.3 tp -74.01 -24.41 59.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.098 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -63.94 -35.51 80.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.822 0.259 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 10' ' ' VAL . 45.8 p90 -71.1 -16.35 62.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -57.74 -53.21 60.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.374 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.93 -35.65 69.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.212 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.615 HG12 HG12 ' B' ' 9' ' ' VAL . 2.5 t -64.6 -45.73 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.339 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 6' ' ' PHE . 91.9 t -66.79 -52.77 41.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.467 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -55.34 -38.72 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.437 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.5 t -70.26 -39.71 74.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.857 0.36 . . . . 0.0 111.105 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.37 -55.9 15.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.234 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.2 mt -55.35 -44.05 73.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.15 -39.56 79.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.05 -34.76 66.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.447 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.67 -45.68 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 23' ' ' ILE . 33.7 m -66.6 -35.03 73.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.365 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.53 HD21 HG12 ' B' ' 19' ' ' VAL . 1.3 tm? -57.95 -44.71 87.15 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.784 0.326 . . . . 0.0 110.241 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.8 m -66.28 -32.47 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.391 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.23 -34.07 53.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.51 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 19' ' ' VAL . 34.7 mm -63.8 -49.44 81.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.675 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.0 p -73.54 -23.4 59.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.838 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.7 -51.49 58.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.636 0.255 . . . . 0.0 111.33 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -59.16 -41.05 82.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.084 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 23' ' ' ILE . 33.5 mm -70.55 -35.89 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.29 -44.88 92.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -76.41 -40.85 35.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.382 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.5 ttp -59.5 -43.34 93.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.965 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -74.77 -27.09 60.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.329 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -70.46 -26.23 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.759 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.762 0.315 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -58.24 -51.89 67.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.265 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -61.93 -35.58 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.358 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.615 HG12 HG12 ' A' ' 9' ' ' VAL . 5.5 t -63.07 -51.97 64.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.252 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . 0.409 ' O ' HG22 ' B' ' 14' ' ' ILE . 69.2 t -58.1 -50.46 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.581 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.54 -33.53 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.17 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 44.8 t -71.53 -38.63 71.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.058 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.19 -53.88 15.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.479 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.409 HG22 ' O ' ' B' ' 10' ' ' VAL . 8.6 tp -57.43 -41.83 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.405 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.406 ' N ' HG23 ' B' ' 14' ' ' ILE . 55.2 tp -68.9 -34.48 75.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.93 99.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.69 -38.78 86.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.644 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.445 ' O ' HD13 ' B' ' 22' ' ' ILE . 47.9 t -67.48 -34.98 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.558 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.53 HG12 HD21 ' A' ' 20' ' ' LEU . 62.4 t -70.95 -34.59 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.433 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.51 ' O ' HD13 ' B' ' 20' ' ' LEU . 0.4 OUTLIER -67.18 -32.26 73.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.85 0.357 . . . . 0.0 110.627 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.404 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 40.5 m -76.5 -43.79 38.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.696 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.445 HD13 ' O ' ' B' ' 18' ' ' VAL . 1.7 mp -68.33 -41.56 83.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.008 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.429 HG23 HG21 ' A' ' 23' ' ' ILE . 17.0 tt -61.56 -37.54 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 84.5 p -74.08 -34.9 64.17 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.866 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 21' ' ' THR . 56.7 mt -63.4 -44.93 93.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -54.44 -39.71 46.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.634 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 36.2 mt -69.58 -40.03 79.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.709 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.32 -58.16 9.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.102 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.29 -36.4 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 34.4 ttm -56.18 -46.9 79.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.982 0.42 . . . . 0.0 110.775 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -76.58 -23.78 53.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.937 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -68.52 -32.72 72.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.841 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.853 0.272 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -64.5 -15.72 61.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -57.1 -50.83 71.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.122 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -70.78 -35.73 61.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.282 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.551 HG12 HG12 ' B' ' 9' ' ' VAL . 4.3 t -58.89 -50.67 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.409 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 14' ' ' ILE . 84.8 t -61.99 -58.71 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.592 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.4 mt -49.87 -38.83 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -71.7 -38.6 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.77 -57.31 10.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.894 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.4 pt -61.81 -38.45 80.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.37 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 tp -56.19 -54.91 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.676 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.12 -31.31 69.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.033 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.61 -36.58 82.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.544 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 14' ' ' ILE . 97.4 t -68.75 -39.81 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.268 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 23' ' ' ILE . 58.9 t -63.05 -38.14 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -57.4 -38.15 73.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.223 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -71.59 -35.75 70.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.555 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 18' ' ' VAL . 49.4 mm -66.38 -38.9 82.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.714 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.5 HG21 HG23 ' B' ' 23' ' ' ILE . 42.3 mm -65.45 -45.39 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.767 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.9 t -73.31 -21.63 60.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.701 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -68.89 -49.95 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.741 0.305 . . . . 0.0 111.075 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -59.3 -39.65 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.504 HD11 HD13 ' B' ' 27' ' ' ILE . 41.8 mm -72.44 -36.72 55.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.52 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.43 -42.2 91.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.5 mm -79.08 -40.92 22.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.58 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 ttp -60.53 -38.78 85.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.725 0.297 . . . . 0.0 110.901 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.5 tp -77.9 -33.18 52.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.057 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.3 t90 -64.62 -29.83 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.664 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.771 179.869 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.935 0.398 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -58.01 -40.62 81.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.45 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.55 -35.14 73.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.81 0.338 . . . . 0.0 111.223 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.551 HG12 HG12 ' A' ' 9' ' ' VAL . 2.5 t -65.97 -48.65 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.214 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.39 -47.65 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.395 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.8 mt -66.38 -36.42 77.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.419 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -68.92 -38.73 79.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 111.115 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.38 -52.71 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.258 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.471 ' O ' HG23 ' B' ' 18' ' ' VAL . 9.5 tp -59.99 -37.31 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.28 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.38 -36.56 76.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.232 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.96 79.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.275 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.64 -31.67 68.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 110.39 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 14' ' ' ILE . 92.1 t -70.86 -42.37 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.925 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.11 -24.95 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.48 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -26.92 65.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.975 0.417 . . . . 0.0 110.178 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 86.3 m -83.89 -42.35 16.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.585 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 66.1 mt -68.58 -38.07 78.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.5 HG23 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -63.15 -35.62 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.295 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.433 ' HA ' HD12 ' B' ' 27' ' ' ILE . 31.0 m -74.08 -44.18 54.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.956 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -55.18 -45.36 75.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.64 -40.34 50.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.608 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.504 HD13 HD11 ' A' ' 27' ' ' ILE . 46.0 mt -67.21 -47.35 81.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.78 -56.17 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.443 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.01 -34.56 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.341 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.4 ttp -60.68 -46.82 88.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 110.552 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 31.2 tp -75.46 -25.18 57.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.42 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -65.95 -33.54 76.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.778 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.972 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.799 0.25 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.492 ' HA ' HG12 ' A' ' 9' ' ' VAL . 43.6 p90 -70.97 -16.94 62.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' HG12 ' A' ' 11' ' ' ILE . 33.9 ttmt -63.07 -42.97 99.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.762 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.2 t -72.42 -39.55 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 6' ' ' PHE . 12.4 p -68.67 -32.31 54.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 6' ' ' PHE . 47.9 t -71.09 -47.79 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.641 0.258 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 7' ' ' LYS . 37.5 mm -58.94 -41.55 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -69.36 -40.66 77.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -61.39 -53.93 50.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.1 mt -56.31 -49.1 78.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.357 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 19' ' ' VAL . 55.8 tp -55.39 -40.3 71.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.848 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' B' ' 16' ' ' ALA . . . -57.54 -43.11 84.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.24 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.41 -33.5 75.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.5 t -68.87 -36.01 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.723 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 23' ' ' ILE . 65.0 t -69.83 -44.01 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.188 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.577 HD21 HG12 ' B' ' 19' ' ' VAL . 1.7 tm? -57.29 -39.7 76.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.235 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.0 m -66.21 -33.92 76.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.581 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.3 mm -72.8 -38.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.775 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.534 HG21 HG23 ' B' ' 23' ' ' ILE . 49.2 mm -62.72 -47.55 92.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.987 0.422 . . . . 0.0 110.928 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.0 t -73.07 -22.42 60.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.472 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.6 tp -70.11 -45.68 66.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.6 mm -62.45 -41.17 90.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.343 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.501 HD11 HD13 ' B' ' 27' ' ' ILE . 46.1 mm -73.55 -36.51 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.624 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.7 tp -54.13 -50.93 65.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.998 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 29' ' ' ILE . 2.5 mp -74.93 -34.73 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.8 ttm -56.34 -45.41 80.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.686 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -78.87 -25.94 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.63 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -63.55 -32.17 73.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.674 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.942 179.692 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 p90 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.891 0.376 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.435 ' O ' HG12 ' B' ' 11' ' ' ILE . 41.0 ttmt -64.06 -40.42 96.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.9 t -62.85 -35.53 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 37.2 t -71.12 -45.21 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.353 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.67 -49.42 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.463 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.435 HG12 ' O ' ' B' ' 7' ' ' LYS . 37.0 mm -63.46 -35.77 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.195 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.0 t -69.64 -38.53 77.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -67.3 -56.07 11.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.495 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.413 HG23 ' N ' ' B' ' 15' ' ' LEU . 8.1 tp -57.35 -42.46 80.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.574 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.413 ' N ' HG23 ' B' ' 14' ' ' ILE . 62.9 tp -69.4 -35.6 75.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.028 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' A' ' 16' ' ' ALA . . . -58.33 -45.07 88.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.36 -38.52 91.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.023 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 14' ' ' ILE . 91.6 t -64.26 -38.39 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.623 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.577 HG12 HD21 ' A' ' 20' ' ' LEU . 84.4 t -72.74 -32.21 39.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.416 HD21 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -65.33 -31.36 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.691 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 63.0 m -78.37 -45.28 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.152 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.29 -43.14 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.534 HG23 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -59.35 -38.39 74.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.67 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.535 ' HA ' HD12 ' B' ' 27' ' ' ILE . 95.1 p -73.99 -35.25 64.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.942 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.2 mt -62.93 -42.49 99.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.1 -39.67 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.444 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' B' ' 24' ' ' SER . 21.6 mt -68.17 -41.83 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.862 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.3 -56.6 20.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.344 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.23 -32.53 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.511 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 59.5 ttp -62.08 -45.79 91.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 29.7 tp -78.38 -23.84 46.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.746 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -64.4 -35.23 80.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.209 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.241 -179.734 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.82 0.258 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -69.98 -16.42 63.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -57.95 -51.77 68.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.098 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.1 -35.62 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.207 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.573 HG12 HG12 ' B' ' 9' ' ' VAL . 2.7 t -64.03 -50.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.07 -56.1 19.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.558 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.3 mt -52.84 -36.49 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.426 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -71.65 -40.42 69.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.153 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.16 -56.36 11.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.375 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.22 -46.63 77.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.155 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.8 tp -54.77 -50.83 67.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.832 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.95 -32.83 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.2 tp -67.41 -35.27 78.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.356 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.83 -30.89 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.38 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.0 t -71.6 -31.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.411 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.33 -29.09 66.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.908 0.385 . . . . 0.0 110.314 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.1 m -78.96 -36.98 40.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.683 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -74.21 -41.35 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.962 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.493 HG23 HG21 ' B' ' 23' ' ' ILE . 6.8 tp -61.8 -43.07 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.666 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.8 p -75.15 -29.36 60.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.32 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.8 -52.08 66.59 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.252 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -54.55 -39.46 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.568 HD11 HD13 ' B' ' 27' ' ' ILE . 38.6 mm -72.34 -36.2 54.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.487 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.67 -43.98 93.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.738 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.29 -34.45 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.4 ttm -60.89 -43.9 97.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.743 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.5 tp -77.24 -32.78 56.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.645 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.6 t90 -63.92 -26.46 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.802 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.583 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -58.54 -51.28 70.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.446 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.74 -35.46 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.63 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.573 HG12 HG12 ' A' ' 9' ' ' VAL . 3.3 t -60.7 -49.54 84.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 111.262 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.99 -48.19 87.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.391 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.9 mt -59.96 -35.65 62.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.285 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.5 t -71.83 -38.67 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.053 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.44 -54.64 21.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.41 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.28 -38.84 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.649 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 tp -69.4 -40.65 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.17 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.74 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.365 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -71.51 -39.05 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.753 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.411 ' O ' HG13 ' B' ' 22' ' ' ILE . 98.2 t -64.63 -49.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.002 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.457 ' O ' HG12 ' B' ' 23' ' ' ILE . 33.5 m -64.46 -37.78 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.317 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.1 tp -57.4 -38.26 74.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.824 0.345 . . . . 0.0 110.414 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -71.79 -34.71 69.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 18' ' ' VAL . 72.7 mt -67.83 -38.69 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.493 HG21 HG23 ' A' ' 23' ' ' ILE . 36.1 mm -60.15 -42.53 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.926 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.3 m -66.26 -39.5 89.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.16 -40.62 96.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.12 -41.16 90.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.568 HD13 HD11 ' A' ' 27' ' ' ILE . 31.2 mt -69.92 -39.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.089 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.1 -55.69 30.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.464 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.43 -37.23 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.399 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.2 ttp -58.7 -45.55 89.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.056 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.5 tp -79.21 -23.7 43.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -66.17 -36.39 82.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.064 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.678 -0.169 . . . . 0.0 112.678 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -130.02 -36.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 111.034 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -134.85 -76.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.1 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.3 mt -87.8 142.16 32.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.729 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.59 147.89 77.29 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.496 2.131 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 10' ' ' VAL . 44.9 p90 -62.25 -15.07 44.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.776 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -56.6 -52.16 65.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.3 t -71.95 -35.63 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.607 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' B' ' 9' ' ' VAL . 4.7 t -59.76 -51.21 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 0.0 111.529 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 6' ' ' PHE . 98.0 t -60.54 -58.44 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.686 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.1 mt -51.17 -37.1 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.615 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -72.05 -42.34 66.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.34 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.93 -52.54 55.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.411 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 18' ' ' VAL . 41.8 mm -54.68 -51.81 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.1 tp -55.6 -49.96 71.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.42 -32.04 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 tp -73.35 -31.61 64.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 14' ' ' ILE . 94.1 t -72.45 -44.07 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.486 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 m -64.16 -29.03 46.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.77 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -64.96 -35.63 81.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.023 0.439 . . . . 0.0 109.892 179.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.9 m -74.84 -34.17 62.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.341 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.3 mm -67.79 -50.7 57.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.567 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.605 HG23 HG21 ' B' ' 23' ' ' ILE . 19.0 tt -60.88 -33.82 56.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.9 t -73.67 -35.37 65.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.92 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.9 tp -59.12 -41.55 88.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.2 -40.37 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.044 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.549 HD11 HD11 ' B' ' 27' ' ' ILE . 41.7 mt -68.27 -38.95 80.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.217 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.5 tp -57.76 -54.77 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.164 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -68.42 -37.86 78.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.299 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.2 ttm -56.74 -52.07 66.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.9 tp -74.03 -23.78 59.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.648 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -64.81 -24.36 67.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.644 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -104.42 10.14 35.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -116.11 -67.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.735 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -106.59 117.89 55.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.656 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -52.26 148.98 23.61 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.366 2.044 . . . . 0.0 112.419 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -105.65 143.84 33.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.007 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -98.65 126.59 44.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.853 179.842 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.586 -0.206 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -97.24 5.11 50.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.7 m -136.0 -73.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 73.2 mt -70.16 154.64 94.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.709 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.514 ' O ' HG22 ' B' ' 8' ' ' VAL . 35.4 Cg_endo -64.92 154.69 71.88 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.343 2.029 . . . . 0.0 112.156 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -71.5 -17.24 62.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -61.51 -46.34 90.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.779 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.514 HG22 ' O ' ' B' ' 5' ' ' PRO . 23.1 m -59.88 -35.11 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.662 0.268 . . . . 0.0 111.295 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' A' ' 9' ' ' VAL . 2.5 t -64.04 -51.8 64.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -58.62 -52.06 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.371 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.94 -38.85 75.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.376 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -68.35 -38.73 81.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.57 -57.04 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.38 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.45 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.7 tp -57.02 -39.48 66.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.323 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.7 tp -68.81 -34.22 75.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.21 84.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.363 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.39 -33.83 71.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.716 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 14' ' ' ILE . 81.1 t -69.33 -45.47 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.483 ' O ' HG12 ' B' ' 23' ' ' ILE . 35.8 m -70.08 -32.87 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.466 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 62.7 tp -57.57 -43.69 84.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.67 0.272 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.414 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 88.2 m -66.84 -38.1 85.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.318 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.5 -42.02 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.775 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.605 HG21 HG23 ' A' ' 23' ' ' ILE . 47.4 mm -59.82 -38.57 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.963 0.411 . . . . 0.0 110.358 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t -72.65 -35.36 67.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.278 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 21' ' ' THR . 91.4 mt -65.77 -33.65 76.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.39 -40.81 87.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.549 HD11 HD11 ' A' ' 27' ' ' ILE . 8.1 mt -68.13 -40.78 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.89 -54.35 48.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.29 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.75 -36.67 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.448 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.9 ttp -60.12 -44.92 94.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 46.9 tp -77.43 -23.86 50.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.626 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -68.31 -32.09 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -104.61 -9.06 18.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.995 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt 58.44 -85.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.398 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -73.53 143.64 82.6 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.25 167.85 5.54 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.406 2.071 . . . . 0.0 111.987 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -114.95 136.75 52.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -128.86 150.45 50.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.657 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 C--O 1.256 1.437 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.016 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.602 -0.199 . . . . 0.0 112.602 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 59.37 98.55 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.906 0.384 . . . . 0.0 110.99 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -100.82 145.42 28.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.4 mm? -76.3 145.67 76.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.45 153.88 75.38 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.536 2.157 . . . . 0.0 112.406 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 10' ' ' VAL . 40.4 p90 -63.23 -15.24 56.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -56.89 -53.44 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -72.43 -35.75 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.523 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.616 HG11 HG22 ' B' ' 10' ' ' VAL . 42.4 t -59.66 -49.58 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.77 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.606 HG22 HG21 ' B' ' 9' ' ' VAL . 90.0 t -64.02 -52.49 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.638 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.14 -36.41 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.303 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -72.16 -39.83 68.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.012 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.56 -54.2 39.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.19 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 18' ' ' VAL . 77.2 mt -55.83 -49.12 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.166 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.3 tp -54.79 -49.2 71.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.28 -30.71 71.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.006 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 tp -73.07 -32.02 64.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.676 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 14' ' ' ILE . 90.7 t -72.47 -48.61 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.121 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 23' ' ' ILE . 7.1 p -60.27 -34.11 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.553 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.2 tm? -57.67 -43.45 85.03 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.9 m -68.21 -32.32 72.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.422 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mm -67.91 -39.16 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.742 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.438 HG13 HD11 ' B' ' 20' ' ' LEU . 47.6 mm -64.76 -48.99 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.1 p -69.43 -23.55 63.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.307 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -66.39 -47.82 72.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.383 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.4 mm -61.41 -39.72 83.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 23' ' ' ILE . 35.7 mm -70.28 -36.61 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.302 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 tp -56.98 -50.48 72.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.319 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 29' ' ' ILE . 2.2 mp -73.79 -39.01 51.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.246 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.8 ttp -57.89 -42.13 84.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 110.735 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.9 tp -79.66 -24.96 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.028 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -66.02 -26.72 67.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.545 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -103.51 9.7 37.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.753 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -114.44 143.69 44.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.525 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -64.02 113.49 10.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.89 158.45 20.86 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.263 1.976 . . . . 0.0 112.138 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -130.45 122.7 28.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -78.26 154.81 30.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -99.99 -30.49 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.75 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.5 m -60.99 -25.07 66.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.569 HD12 ' HD2' ' B' ' 5' ' ' PRO . 40.6 tp -84.66 124.07 73.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.569 ' HD2' HD12 ' B' ' 4' ' ' LEU . 53.2 Cg_exo -53.61 133.96 56.06 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.234 1.956 . . . . 0.0 112.07 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.532 ' O ' HG23 ' B' ' 10' ' ' VAL . 1.9 p90 -71.4 -15.95 62.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.261 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -66.43 -40.74 89.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.48 HG22 ' O ' ' B' ' 5' ' ' PRO . 29.1 m -71.92 -35.82 55.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.606 HG21 HG22 ' A' ' 10' ' ' VAL . 10.8 p -69.32 -36.79 73.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.616 HG22 HG11 ' A' ' 9' ' ' VAL . 98.9 t -67.44 -42.59 87.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.84 0.352 . . . . 0.0 110.693 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 89.6 mt -66.69 -36.43 77.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 72.7 m -69.29 -38.96 78.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.783 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -65.77 -54.24 29.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.457 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.419 HG23 ' N ' ' B' ' 15' ' ' LEU . 9.5 tp -59.37 -42.47 87.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.16 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.419 ' N ' HG23 ' B' ' 14' ' ' ILE . 60.6 tp -69.52 -27.59 65.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.048 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.95 -35.14 66.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.835 0.35 . . . . 0.0 110.577 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.94 -41.3 91.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.006 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.484 ' O ' HG12 ' B' ' 23' ' ' ILE . 26.3 m -75.62 -38.68 38.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.3 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 23' ' ' ILE . 42.0 tp -59.11 -29.87 67.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.76 0.314 . . . . 0.0 110.619 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -78.31 -40.42 36.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.493 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 98.1 mt -68.3 -37.57 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.484 HG12 ' O ' ' B' ' 19' ' ' VAL . 31.0 mm -58.89 -42.92 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 79.0 p -73.09 -34.56 66.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.309 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.53 -40.27 96.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.86 -43.76 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.432 HG12 ' O ' ' B' ' 23' ' ' ILE . 40.5 mm -67.65 -37.43 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.11 -53.71 55.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.065 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.58 -34.06 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.9 ttp -58.96 -41.09 86.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 50.1 tp -82.19 -24.64 34.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -68.3 -33.32 74.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.017 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -99.94 10.53 41.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -56.57 -39.3 73.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.53 118.41 62.28 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.0 137.99 70.46 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.377 2.051 . . . . 0.0 112.061 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -129.27 140.44 51.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.732 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -115.34 137.05 52.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.864 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -94.67 -69.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.749 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 m -129.32 142.56 50.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.1 tp -97.08 106.58 32.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' O ' HG23 ' A' ' 9' ' ' VAL . 36.5 Cg_endo -64.67 148.43 90.28 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.462 2.108 . . . . 0.0 112.162 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.403 ' O ' HG23 ' A' ' 10' ' ' VAL . 37.9 p90 -64.16 -16.1 61.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -57.52 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -72.12 -36.08 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.769 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.613 HG12 HG12 ' B' ' 9' ' ' VAL . 2.4 t -62.23 -52.16 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.591 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 6' ' ' PHE . 88.7 t -57.93 -55.75 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.9 mt -55.49 -35.59 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.679 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -70.98 -43.39 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.82 -52.39 60.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.338 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 18' ' ' VAL . 82.9 mt -57.46 -49.52 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.171 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 tp -53.5 -52.44 59.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.56 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.4 tp -72.23 -31.54 65.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.638 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 14' ' ' ILE . 84.6 t -72.97 -45.9 53.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.231 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 23' ' ' ILE . 34.2 m -64.09 -30.79 50.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.241 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -58.68 -40.26 83.05 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.582 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.5 m -70.65 -33.38 70.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.664 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -70.53 -36.77 67.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.879 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.548 HG21 HG23 ' B' ' 23' ' ' ILE . 36.4 mm -63.89 -45.96 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.014 0.435 . . . . 0.0 110.634 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.9 t -73.62 -25.9 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.295 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.8 tp -64.6 -46.38 82.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.241 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -62.73 -39.45 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.198 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.5 HD11 HD13 ' B' ' 27' ' ' ILE . 40.4 mm -72.05 -36.48 57.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.449 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.06 -42.83 86.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.797 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mm -79.29 -37.02 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.041 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.453 ' HG2' ' NZ ' ' A' ' 34' ' ' LYS . 48.6 ttm -59.06 -44.89 91.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.714 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.494 HD11 ' HE2' ' A' ' 35' ' ' LYS . 37.4 tp -75.67 -30.59 59.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.43 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -61.18 -32.4 72.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.497 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -105.39 8.31 33.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.78 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' NZ ' ' HG2' ' A' ' 30' ' ' MET . 5.1 ttmp? -93.28 -41.45 9.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.494 ' HE2' HD11 ' A' ' 31' ' ' LEU . 68.4 mttm -100.77 132.27 22.42 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.756 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.26 161.58 16.27 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.637 2.224 . . . . 0.0 112.725 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -131.32 145.73 51.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.675 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -126.38 114.78 18.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.234 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.351 179.521 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -110.2 -10.39 14.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -110.09 123.54 49.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -96.51 148.76 34.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.711 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.48 ' O ' HG22 ' B' ' 8' ' ' VAL . 30.1 Cg_endo -63.41 152.63 79.12 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.421 2.081 . . . . 0.0 112.322 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -71.64 -16.22 62.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -57.9 -50.93 71.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.496 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.48 HG22 ' O ' ' B' ' 5' ' ' PRO . 28.7 m -59.3 -35.49 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.268 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.613 HG12 HG12 ' A' ' 9' ' ' VAL . 6.4 t -61.61 -51.54 71.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.881 0.372 . . . . 0.0 111.008 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.17 -54.14 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.61 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 59.8 mt -57.84 -37.35 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.326 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -70.32 -38.4 74.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.182 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -66.26 -55.89 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.59 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.426 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.3 tt -60.63 -38.64 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.384 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.1 -33.23 73.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.668 0.271 . . . . 0.0 110.982 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.16 -32.07 73.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -73.58 -33.49 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.614 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 14' ' ' ILE . 60.6 t -70.24 -41.07 78.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 31.5 m -73.71 -27.09 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.263 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 tp -71.59 -26.47 62.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.818 0.342 . . . . 0.0 110.494 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.418 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 88.2 m -83.74 -35.94 24.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.427 ' O ' HG13 ' B' ' 26' ' ' ILE . 97.8 mt -73.34 -40.36 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.707 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.548 HG23 HG21 ' A' ' 23' ' ' ILE . 18.6 tt -61.82 -36.05 71.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.406 ' HA ' HD12 ' B' ' 27' ' ' ILE . 83.8 p -74.07 -37.54 64.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.884 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 21' ' ' THR . 60.2 mt -61.55 -41.77 97.86 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 22' ' ' ILE . 85.5 mt -56.34 -39.62 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.015 0.436 . . . . 0.0 110.25 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.5 HD13 HD11 ' A' ' 27' ' ' ILE . 38.8 mt -68.71 -39.94 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.703 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -55.85 29.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.939 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.55 -32.02 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.091 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 32.0 ttm -58.73 -47.05 85.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.057 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 23.1 tp -81.89 -23.82 36.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.948 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -65.69 -35.4 80.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -100.61 10.04 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -138.51 104.62 5.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.981 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -108.99 117.78 52.93 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.21 126.21 11.52 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.231 1.954 . . . . 0.0 112.418 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.591 ' HD3' ' H ' ' B' ' 37' ' ' ARG . 0.0 OUTLIER -55.83 150.74 12.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.786 179.8 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -110.78 127.93 55.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.857 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -153.46 178.58 9.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.72 0.295 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -89.52 148.18 23.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.054 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.6 mt -85.01 149.92 54.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.67 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.1 166.06 11.37 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.659 2.239 . . . . 0.0 112.271 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 10' ' ' VAL . 52.8 p90 -70.61 -16.42 62.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.25 -48.61 78.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.547 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.31 -35.77 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.447 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.561 HG12 HG12 ' B' ' 9' ' ' VAL . 2.6 t -62.6 -46.42 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.51 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 6' ' ' PHE . 95.7 t -64.15 -52.13 60.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.982 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -57.85 -41.77 80.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.752 0.311 . . . . 0.0 111.492 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -69.12 -38.82 79.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.249 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -66.99 -57.21 7.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.507 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.9 mt -54.86 -47.08 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.513 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 tp -54.47 -38.0 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.16 89.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.63 -35.05 79.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.083 0.468 . . . . 0.0 110.446 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.82 -38.43 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.557 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.7 t -67.03 -43.3 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.416 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -57.9 -38.92 76.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.476 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -67.52 -34.71 77.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.767 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.97 -36.78 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.944 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.502 HG21 HG23 ' B' ' 23' ' ' ILE . 37.2 mm -63.39 -47.01 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.557 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 t -73.4 -24.14 60.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.635 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.76 -58.98 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 0.0 111.193 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.3 mt -54.19 -39.58 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.556 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.452 HD11 HD13 ' B' ' 27' ' ' ILE . 49.7 mm -70.45 -36.8 68.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.274 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 tp -57.83 -45.77 85.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.748 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.8 mt -78.52 -32.82 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.0 ttm -59.11 -42.95 91.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.307 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.9 tp -80.11 -25.74 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.245 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -62.67 -30.89 71.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.66 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -105.15 4.89 31.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -93.81 -38.6 11.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.49 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -116.26 118.88 37.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.693 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.08 159.43 26.03 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.407 2.071 . . . . 0.0 112.105 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -88.98 143.01 27.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -145.5 140.49 27.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.811 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--O 1.233 0.211 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.233 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -109.44 121.7 45.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.807 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 47.5 t -103.41 136.92 42.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.468 ' HB3' HG21 ' B' ' 8' ' ' VAL . 10.6 mp -91.4 153.47 44.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.462 ' O ' HG22 ' B' ' 8' ' ' VAL . 41.6 Cg_endo -67.31 169.02 16.28 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.379 2.053 . . . . 0.0 112.157 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -71.49 -17.29 62.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -60.37 -53.26 59.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.5 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.468 HG21 ' HB3' ' B' ' 4' ' ' LEU . 34.1 m -58.38 -35.18 52.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.233 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.561 HG12 HG12 ' A' ' 9' ' ' VAL . 3.5 t -63.48 -47.26 92.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.321 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.48 -52.64 58.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.35 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -59.62 -37.18 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.122 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.1 m -69.77 -38.83 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.847 0.356 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -64.91 -55.07 21.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.516 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.411 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.5 tt -62.76 -41.66 93.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.618 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 tp -65.65 -33.32 75.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 110.768 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.71 84.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.4 -33.83 67.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.566 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.482 ' O ' HG12 ' B' ' 22' ' ' ILE . 71.6 t -67.05 -45.32 87.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.891 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.47 -31.29 42.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.374 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.416 ' CD1' HG13 ' A' ' 23' ' ' ILE . 42.2 tp -62.33 -31.48 72.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.826 0.346 . . . . 0.0 110.453 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.4 m -79.25 -36.04 40.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.297 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.482 HG12 ' O ' ' B' ' 18' ' ' VAL . 47.0 mm -66.66 -50.43 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.513 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.502 HG23 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -57.67 -32.3 42.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.555 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 37.9 t -73.22 -41.62 63.55 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.026 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.09 -39.58 95.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.119 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -57.98 -39.74 73.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.452 HD13 HD11 ' A' ' 27' ' ' ILE . 45.0 mt -66.3 -45.8 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.046 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.3 tp -57.63 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.399 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.82 -32.33 51.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.265 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 55.6 ttp -64.65 -47.5 78.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.6 tp -75.53 -23.95 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.724 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -68.46 -35.29 77.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.187 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -94.53 10.51 34.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -132.5 113.42 13.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.019 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -92.2 152.04 42.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.694 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.38 153.23 77.48 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.338 2.025 . . . . 0.0 112.036 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -98.0 145.31 26.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -123.21 125.06 44.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.898 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.13 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -63.98 145.96 54.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.326 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.521 ' HB2' HD22 ' A' ' 4' ' ' LEU . 67.1 m -101.66 -43.84 5.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' A' ' 3' ' ' SER . 1.6 mm? -114.11 101.27 53.89 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.827 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' VAL . 26.0 Cg_exo -62.96 166.92 13.12 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.416 2.077 . . . . 0.0 112.246 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 10' ' ' VAL . 44.1 p90 -62.38 -15.7 50.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.06 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -56.88 -52.68 64.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.506 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.98 -35.46 54.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.705 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' B' ' 9' ' ' VAL . 2.7 t -61.33 -53.31 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.684 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 6' ' ' PHE . 99.2 t -59.52 -53.68 44.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.062 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -54.62 -41.62 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.657 0.265 . . . . 0.0 111.589 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -70.2 -39.55 75.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.44 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.9 -54.91 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.557 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.6 mt -54.7 -50.5 59.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.402 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.51 -36.05 66.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' B' ' 16' ' ' ALA . . . -66.12 -32.47 73.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.01 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.15 -31.85 64.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.443 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 22' ' ' ILE . 60.8 t -69.14 -48.19 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 23' ' ' ILE . 35.8 m -62.66 -33.44 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.533 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -58.61 -36.31 73.84 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -76.52 -34.2 58.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.483 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 18' ' ' VAL . 49.9 mm -65.93 -41.73 90.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.704 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.551 HG13 HD11 ' B' ' 20' ' ' LEU . 35.6 mm -69.85 -38.2 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.7 m -73.07 -27.95 62.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.5 tp -65.84 -37.53 86.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.703 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.1 mm -67.71 -40.53 84.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.578 HD11 HD11 ' B' ' 27' ' ' ILE . 20.2 mt -70.4 -37.3 70.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.053 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.06 -47.78 83.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.115 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.3 mm -76.91 -36.67 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.34 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.1 ttm -59.66 -42.68 93.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.725 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -80.63 -27.49 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.484 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -63.5 -31.74 72.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -104.33 10.55 35.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -97.3 -56.34 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.763 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HB3' ' HD2' ' A' ' 36' ' ' PRO . 27.8 mtpp -85.54 156.38 59.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.54 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 35' ' ' LYS . 19.2 Cg_endo -57.9 135.08 66.65 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.447 2.098 . . . . 0.0 112.375 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -70.6 144.26 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -102.9 155.08 18.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.939 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.89 179.852 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 59.53 93.07 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.729 0.299 . . . . 0.0 111.149 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t 60.39 105.6 0.02 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' B' ' 5' ' ' PRO . 77.8 mt -109.89 137.78 20.55 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.579 ' HB2' ' HG2' ' B' ' 7' ' ' LYS . 35.8 Cg_exo -62.35 150.43 87.21 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.542 2.161 . . . . 0.0 112.333 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.408 ' HD1' ' H ' ' B' ' 6' ' ' PHE . 3.0 p90 -71.37 -19.47 62.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.711 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.579 ' HG2' ' HB2' ' B' ' 5' ' ' PRO . 20.1 ptpt -65.92 -25.41 67.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.572 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.42 -35.78 76.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.682 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.441 HG12 HG12 ' A' ' 9' ' ' VAL . 3.4 t -71.57 -47.12 59.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.847 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -57.89 -53.58 43.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.252 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -58.14 -33.64 47.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.942 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -70.77 -39.2 73.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.73 -53.61 38.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.299 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.473 ' O ' HG23 ' B' ' 18' ' ' VAL . 32.3 mm -57.59 -53.43 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -60.25 -34.92 74.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.394 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' A' ' 16' ' ' ALA . . . -64.28 -40.77 96.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.504 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.93 -31.76 66.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.452 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 14' ' ' ILE . 69.1 t -68.37 -41.56 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.856 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.55 ' O ' HG12 ' B' ' 23' ' ' ILE . 32.7 m -76.13 -35.15 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.46 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.551 HD11 HG13 ' A' ' 23' ' ' ILE . 58.0 tp -57.28 -37.85 73.04 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.704 0.287 . . . . 0.0 110.533 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.413 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 51.6 m -71.75 -29.78 64.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.947 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.429 ' O ' HG13 ' B' ' 26' ' ' ILE . 97.0 mt -72.97 -37.39 53.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.712 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.55 HG12 ' O ' ' B' ' 19' ' ' VAL . 37.2 mm -62.61 -40.18 87.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.844 0.354 . . . . 0.0 110.36 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 82.7 p -73.36 -38.74 65.6 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.511 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 21' ' ' THR . 54.2 mt -59.3 -39.69 83.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.715 0.293 . . . . 0.0 110.966 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 22' ' ' ILE . 90.7 mt -62.13 -40.46 87.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.578 HD11 HD11 ' A' ' 27' ' ' ILE . 31.7 mt -65.8 -42.87 93.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.729 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.43 -59.23 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.164 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.411 HG22 HE21 ' B' ' 33' ' ' GLN . 56.4 mt -62.3 -32.87 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 36.0 ttm -58.93 -50.67 73.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.5 tp -76.67 -23.59 53.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.318 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 t90 -69.45 -38.78 77.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.411 HE21 HG22 ' B' ' 29' ' ' ILE . 40.6 mt-30 -89.26 10.18 23.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.968 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -73.74 -40.68 63.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.724 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -68.06 149.16 98.27 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.629 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.28 144.57 37.21 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.445 2.096 . . . . 0.0 112.488 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -91.44 135.07 34.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.667 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -151.68 143.09 23.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.057 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.448 -0.786 . . . . 0.0 110.829 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -107.27 115.84 30.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.962 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 m -144.26 -12.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 4' ' ' LEU . 7.1 mp -105.43 150.59 39.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.044 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.43 165.86 21.25 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.581 2.187 . . . . 0.0 112.233 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 10' ' ' VAL . 46.9 p90 -71.14 -17.43 62.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.99 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -59.08 -47.81 83.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.23 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.1 -35.87 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.099 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 t -64.19 -49.61 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.584 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.588 HG22 HG21 ' B' ' 9' ' ' VAL . 91.0 t -61.13 -54.8 30.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.409 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -53.98 -35.81 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.282 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -72.25 -40.15 67.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.021 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -64.37 -56.67 12.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.415 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 18' ' ' VAL . 68.1 mt -55.27 -45.1 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.5 tp -56.71 -49.26 75.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.1 71.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.086 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.84 -31.96 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 14' ' ' ILE . 96.1 t -73.21 -45.93 51.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.42 -30.62 49.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.056 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.6 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -59.74 -37.23 78.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.95 0.405 . . . . 0.0 110.169 179.697 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 m -75.83 -30.19 58.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.587 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mm -69.06 -44.58 81.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.859 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.584 HG13 HD11 ' B' ' 20' ' ' LEU . 49.8 mm -64.38 -43.11 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.24 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.2 p -72.75 -24.4 60.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.195 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.4 tp -67.85 -53.65 25.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mt -56.18 -39.85 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.545 HD11 HD13 ' B' ' 27' ' ' ILE . 46.1 mm -69.73 -36.77 71.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.44 -49.45 77.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.753 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.4 mm -72.19 -31.89 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.4 ttm -62.36 -47.51 83.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.805 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.4 tp -74.74 -35.14 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -62.38 -30.31 71.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.361 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -102.57 -0.23 32.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.656 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 60.9 -85.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.297 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -63.22 154.89 76.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.016 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.04 162.88 4.82 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.391 2.06 . . . . 0.0 112.133 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -87.23 129.02 35.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -153.6 121.25 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.798 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -85.86 105.66 16.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -73.93 176.97 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 61.5 mt -115.83 116.91 40.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.597 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.402 ' HB2' HG23 ' B' ' 8' ' ' VAL . 51.8 Cg_exo -53.93 168.45 0.83 Allowed 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.278 1.986 . . . . 0.0 112.605 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.415 ' O ' HG23 ' B' ' 10' ' ' VAL . 17.4 t80 -64.28 -53.06 54.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.579 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -70.12 -34.15 72.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.761 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' B' ' 5' ' ' PRO . 46.9 t -72.18 -40.16 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.588 HG21 HG22 ' A' ' 10' ' ' VAL . 10.1 p -67.64 -37.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 6' ' ' PHE . 89.6 t -66.13 -42.96 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 111.089 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.4 mt -70.36 -32.46 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -71.33 -38.43 71.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -66.95 -56.45 10.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.354 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.407 ' O ' HG23 ' B' ' 18' ' ' VAL . 7.8 tp -56.13 -40.64 65.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.501 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.458 ' O ' HG23 ' B' ' 19' ' ' VAL . 53.3 tp -69.41 -40.32 77.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.18 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.06 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.68 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.95 -36.85 80.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 14' ' ' ILE . 84.4 t -69.55 -38.21 76.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.6 HG12 HD21 ' A' ' 20' ' ' LEU . 88.8 t -67.02 -45.95 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.299 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.584 HD11 HG13 ' A' ' 23' ' ' ILE . 33.7 tp -57.63 -37.07 72.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.847 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.431 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 91.2 m -65.7 -42.57 91.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.258 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.421 ' O ' HG13 ' B' ' 26' ' ' ILE . 46.6 mm -65.77 -44.5 93.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.45 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.452 HG12 ' O ' ' B' ' 19' ' ' VAL . 28.9 mm -56.62 -37.96 55.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.531 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -71.28 -41.46 69.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.243 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 21' ' ' THR . 97.0 mt -61.2 -39.32 89.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.227 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 22' ' ' ILE . 81.2 mt -59.5 -45.64 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.369 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.545 HD13 HD11 ' A' ' 27' ' ' ILE . 41.7 mt -65.86 -39.88 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.316 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.1 -57.66 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.317 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mt -64.93 -32.42 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.282 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.0 ttp -61.88 -46.88 87.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.015 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 42.6 tp -79.18 -23.68 43.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -67.3 -34.66 77.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -98.37 -8.23 27.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.991 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -85.13 96.9 9.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 110.538 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -98.62 135.26 21.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.948 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.14 122.46 9.3 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.446 2.097 . . . . 0.0 112.219 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -116.87 130.37 56.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -115.7 142.69 46.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.291 -0.862 . . . . 0.0 110.905 -179.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -94.72 -65.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.679 0.276 . . . . 0.0 111.016 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t 57.79 92.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.038 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.575 ' H ' HD12 ' A' ' 4' ' ' LEU . 5.9 mp -62.62 123.39 79.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.48 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HG2' HG23 ' A' ' 8' ' ' VAL . 28.6 Cg_endo -62.25 152.75 74.51 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.356 2.037 . . . . 0.0 112.23 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -68.58 -19.9 64.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -59.69 -45.13 93.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.467 HG23 ' HG2' ' A' ' 5' ' ' PRO . 59.9 t -62.17 -36.03 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.676 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG12 ' B' ' 9' ' ' VAL . 3.3 t -65.26 -42.54 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.811 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.71 -50.94 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.609 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.3 mt -57.57 -37.65 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.85 0.357 . . . . 0.0 111.246 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -72.1 -38.73 69.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -55.74 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.318 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.3 mt -54.89 -48.56 74.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.271 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 tp -57.05 -34.36 68.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.682 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' B' ' 16' ' ' ALA . . . -66.48 -32.61 74.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.182 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.43 -31.83 65.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.737 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 22' ' ' ILE . 48.3 t -68.78 -48.24 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.311 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.6 m -64.13 -31.83 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.74 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.541 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -68.03 -32.71 73.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 109.968 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.8 m -78.14 -35.09 49.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.513 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 18' ' ' VAL . 46.8 mm -69.64 -44.73 79.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.593 HG23 HG21 ' B' ' 23' ' ' ILE . 17.3 tt -64.65 -36.86 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -73.57 -32.01 63.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.03 -37.59 87.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -65.2 -40.85 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.507 HD11 HD11 ' B' ' 27' ' ' ILE . 43.6 mt -69.34 -36.68 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.46 -55.4 35.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.157 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.0 mt -68.79 -38.42 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.512 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.3 ttm -57.73 -51.47 69.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.902 0.382 . . . . 0.0 110.556 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.572 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 36.8 tp -70.92 -26.06 63.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.681 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -68.62 -18.85 64.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -101.62 10.62 40.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.354 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.572 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 18.8 ptpt -141.85 -2.51 1.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.121 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -90.36 133.73 32.56 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.645 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -57.47 133.64 58.23 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.314 2.01 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -86.0 140.49 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -134.41 123.02 23.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.806 179.918 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -103.77 -58.88 1.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.33 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.0 t -71.11 139.11 50.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 70.4 mt -92.2 148.37 36.52 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.458 ' O ' HG22 ' B' ' 8' ' ' VAL . 40.2 Cg_endo -65.88 167.65 17.18 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.562 2.175 . . . . 0.0 112.272 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -71.61 -16.68 62.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -58.11 -51.22 70.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.222 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.458 HG22 ' O ' ' B' ' 5' ' ' PRO . 26.8 m -62.78 -35.02 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.476 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.519 HG12 HG12 ' A' ' 9' ' ' VAL . 2.8 t -62.2 -51.2 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.777 0.322 . . . . 0.0 111.292 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.38 -48.33 89.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.469 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.96 -37.93 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.455 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 40.8 t -71.14 -38.58 72.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.203 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.11 75.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.66 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.456 ' O ' HG23 ' B' ' 18' ' ' VAL . 20.2 tt -71.23 -38.01 68.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.621 0.248 . . . . 0.0 111.597 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 tp -68.08 -38.65 82.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.426 ' CB ' ' HB1' ' A' ' 16' ' ' ALA . . . -63.63 -36.05 82.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.396 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.83 -32.22 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.956 0.408 . . . . 0.0 110.469 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 14' ' ' ILE . 59.4 t -69.32 -42.99 81.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.695 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.489 ' O ' HG12 ' B' ' 23' ' ' ILE . 30.1 m -73.47 -31.77 34.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.379 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.59 -42.1 82.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.811 0.338 . . . . 0.0 110.466 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 62.7 m -68.2 -30.29 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.267 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.447 ' O ' HG13 ' B' ' 26' ' ' ILE . 82.6 mt -73.7 -39.64 53.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.751 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.593 HG21 HG23 ' A' ' 23' ' ' ILE . 49.2 mm -61.52 -39.56 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.422 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 87.4 p -73.05 -38.25 66.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.966 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.33 -40.17 89.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 22' ' ' ILE . 90.0 mt -60.76 -39.72 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 27' ' ' ILE . 21.8 mt -65.94 -39.64 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.908 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.2 -58.26 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.209 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 21.4 mm -60.67 -37.81 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.36 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 37.6 ttm -57.79 -51.19 70.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.039 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 35.2 tp -75.08 -23.41 58.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -66.29 -39.17 89.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.289 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -96.83 2.44 51.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.283 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -87.21 -50.53 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.666 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.493 ' HD2' ' HD2' ' B' ' 36' ' ' PRO . 27.9 tptp -83.31 117.1 67.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.744 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.493 ' HD2' ' HD2' ' B' ' 35' ' ' LYS . 60.7 Cg_endo -73.1 161.06 44.23 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.3 2.0 . . . . 0.0 112.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -107.6 123.49 48.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -94.12 140.68 29.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.807 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -119.27 148.65 42.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -102.34 139.07 38.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.3 mm? -82.75 145.87 51.47 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 28.4 Cg_exo -61.95 166.08 13.03 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.668 2.246 . . . . 0.0 112.196 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' O ' HG23 ' A' ' 10' ' ' VAL . 40.0 p90 -65.13 -17.35 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.721 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 7' ' ' LYS . 5.7 mtpm? -59.32 -48.57 81.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.219 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.18 -35.57 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.188 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.498 HG12 HG12 ' B' ' 9' ' ' VAL . 2.5 t -63.47 -44.83 98.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.249 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 6' ' ' PHE . 92.8 t -67.54 -54.73 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.676 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.8 mt -53.28 -38.27 30.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.383 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -71.39 -41.2 69.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.055 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.83 -57.13 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.484 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -55.25 -46.03 77.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.045 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 19' ' ' VAL . 56.2 tp -55.04 -39.51 69.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.789 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.89 95.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.243 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.6 mm? -61.84 -36.83 82.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.615 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 22' ' ' ILE . 64.2 t -65.13 -43.02 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.716 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.544 HG12 HD21 ' B' ' 20' ' ' LEU . 79.8 t -63.03 -41.87 94.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.509 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.492 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.4 tm? -57.42 -41.56 80.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 110.325 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 m -64.42 -33.46 75.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 18' ' ' VAL . 48.7 mm -70.49 -45.17 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.842 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.721 HG21 HG23 ' B' ' 23' ' ' ILE . 42.8 mm -61.69 -46.4 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -67.75 -31.73 71.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.39 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.84 -46.72 86.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.984 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.0 mt -61.21 -39.23 81.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.516 HD11 HD11 ' B' ' 27' ' ' ILE . 49.8 mt -66.89 -39.28 83.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.022 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.68 -45.57 93.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.172 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.37 -43.07 50.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.374 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.6 ttm -58.78 -39.09 80.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.1 tp -81.14 -29.26 34.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.527 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.1 t90 -63.0 -32.27 73.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.462 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -105.4 -12.61 15.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.774 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt 60.87 13.7 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.803 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -109.76 152.53 42.96 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.95 143.12 25.81 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.501 2.134 . . . . 0.0 112.305 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -126.09 139.62 53.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.748 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -127.94 154.09 45.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.131 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.365 -0.294 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 80.3 m80 57.36 -168.29 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.735 0.302 . . . . 0.0 110.969 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t 59.29 -172.07 0.11 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.46 HD12 ' N ' ' B' ' 4' ' ' LEU . 5.8 mp -85.66 142.12 36.85 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.493 ' O ' HG22 ' B' ' 8' ' ' VAL . 26.8 Cg_exo -62.35 133.05 41.25 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -71.63 -19.08 62.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -57.9 -50.45 73.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.319 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.493 HG22 ' O ' ' B' ' 5' ' ' PRO . 32.9 m -61.52 -35.27 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.518 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.498 HG12 HG12 ' A' ' 9' ' ' VAL . 3.5 t -63.8 -50.16 78.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.779 0.323 . . . . 0.0 111.084 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -59.32 -48.05 88.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.525 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.41 -36.29 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.308 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -69.57 -39.03 77.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.94 -56.29 10.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.321 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.454 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.3 tp -56.43 -41.25 71.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.404 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 tp -69.17 -35.95 76.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.217 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.42 87.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.336 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.68 -32.49 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.838 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 14' ' ' ILE . 96.9 t -68.7 -43.33 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.129 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.71 -21.77 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.605 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.544 HD21 HG12 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -68.77 -34.0 74.83 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.936 0.398 . . . . 0.0 110.471 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 44.5 m -80.75 -36.97 31.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.519 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.72 -39.68 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.721 HG23 HG21 ' A' ' 23' ' ' ILE . 19.2 tt -65.27 -36.42 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 78.6 p -74.03 -39.7 63.38 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 46.2 mt -58.64 -36.8 74.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.02 -39.79 79.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.371 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.516 HD11 HD11 ' A' ' 27' ' ' ILE . 20.6 mt -66.67 -43.87 90.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.833 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.4 tp -56.57 -58.11 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.3 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.0 -37.39 78.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.316 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.6 ttp -61.67 -40.6 95.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.771 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -82.02 -23.51 35.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -69.09 -31.66 70.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.569 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -100.65 10.04 41.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.499 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.6 -62.29 1.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.855 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -103.0 113.06 66.16 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.43 121.89 5.82 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.409 2.073 . . . . 0.0 112.454 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' B' ' 37' ' ' ARG . 5.4 mpt_? -84.29 139.2 32.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.064 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -87.67 141.6 28.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.676 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.375 -0.822 . . . . 0.0 110.84 -179.866 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -113.48 124.93 53.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.2 m -95.44 -55.73 2.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.795 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.2 tp -113.5 96.43 40.08 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.804 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.99 133.06 32.08 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.382 2.055 . . . . 0.0 112.24 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.417 ' O ' HG23 ' A' ' 10' ' ' VAL . 48.8 p90 -67.4 -15.95 63.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.746 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.51 -52.58 64.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.206 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.61 -35.85 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.346 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.428 HG11 HG22 ' B' ' 10' ' ' VAL . 61.9 t -60.41 -51.84 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.633 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.467 HG22 HG21 ' B' ' 9' ' ' VAL . 73.6 t -63.26 -48.64 86.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.833 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.0 mt -58.71 -38.06 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.426 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -71.27 -38.64 71.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.046 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.66 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -66.04 -57.34 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.451 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.6 mt -54.6 -41.92 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.09 -38.04 81.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.07 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.47 86.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.064 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.4 -40.13 96.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.09 -34.68 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.468 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.7 t -72.09 -39.98 66.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.396 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -57.59 -38.05 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.108 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -71.13 -44.74 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.89 -42.37 92.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.638 HG13 HD11 ' B' ' 20' ' ' LEU . 39.1 mm -65.55 -43.01 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.641 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.1 t -73.52 -19.51 60.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.317 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.1 tp -76.65 -54.58 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.484 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mt -57.11 -39.81 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.348 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 tp -71.52 -36.23 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.0 tp -58.15 -47.86 82.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.609 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.9 mm -71.2 -32.09 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.796 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.59 -46.25 90.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.0 tp -76.99 -27.06 54.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.4 t90 -64.09 -28.45 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -102.59 10.31 38.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.238 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -120.51 161.97 20.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.737 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -79.66 113.43 37.28 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.69 149.53 73.53 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.394 2.063 . . . . 0.0 112.755 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -98.73 118.33 35.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.648 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -93.02 119.67 32.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.077 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.007 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.594 -0.202 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -116.32 -43.93 2.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.783 0.325 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -95.71 -70.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.4 mt -119.96 152.42 54.04 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.792 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.58 118.42 5.52 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.406 2.07 . . . . 0.0 112.535 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.493 ' O ' HG23 ' B' ' 10' ' ' VAL . 2.3 p90 -71.76 -16.58 62.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.81 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -65.47 -30.2 70.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.108 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 t -72.55 -42.94 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.79 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.467 HG21 HG22 ' A' ' 10' ' ' VAL . 11.3 p -69.72 -33.95 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.767 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 6' ' ' PHE . 71.0 t -66.7 -51.65 53.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.737 0.304 . . . . 0.0 111.168 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.62 -34.11 65.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -70.07 -38.42 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.66 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -61.83 -57.03 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.54 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.438 ' O ' HG23 ' B' ' 18' ' ' VAL . 16.4 tt -59.64 -42.22 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.467 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.8 tp -65.88 -28.76 69.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.82 89.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.301 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.78 -32.8 63.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 14' ' ' ILE . 91.3 t -67.11 -42.91 88.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.472 ' O ' HG12 ' B' ' 23' ' ' ILE . 29.2 m -72.15 -34.45 49.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.301 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.638 HD11 HG13 ' A' ' 23' ' ' ILE . 55.5 tp -58.2 -41.29 83.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.945 0.403 . . . . 0.0 110.481 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.4 m -68.06 -35.72 78.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.68 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 83.8 mt -70.68 -37.73 70.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.472 HG12 ' O ' ' B' ' 19' ' ' VAL . 32.6 mm -61.63 -39.1 81.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.058 0.456 . . . . 0.0 110.227 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.2 t -73.28 -37.54 66.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.27 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.57 -42.37 95.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.295 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 98.4 mt -60.46 -39.58 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.892 0.377 . . . . 0.0 110.992 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 82.8 mt -72.92 -37.31 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.307 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.71 -54.18 46.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mt -64.53 -37.01 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.396 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.2 ttp -59.34 -49.63 77.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.988 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 tp -71.13 -27.85 63.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 60.5 t90 -72.74 -22.95 60.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -81.12 8.93 7.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.017 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -95.71 126.06 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -93.04 153.98 41.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.89 165.36 26.26 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.301 2.001 . . . . 0.0 112.263 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.475 ' HA ' ' NE ' ' B' ' 37' ' ' ARG . 6.2 tpm_? -89.27 109.44 20.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.628 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -82.71 139.02 33.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.977 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' B' ' 39' ' ' GLU . 8.3 pt-20 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.613 -0.195 . . . . 0.0 112.613 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -118.4 -2.18 11.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -93.58 -2.16 54.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.6 tp -119.82 113.66 34.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.806 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -56.75 145.88 80.49 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.41 2.073 . . . . 0.0 112.278 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 10' ' ' VAL . 33.7 p90 -68.61 -15.66 63.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -57.13 -51.72 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.315 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.22 -35.45 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.441 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.501 HG11 HG22 ' B' ' 10' ' ' VAL . 43.7 t -60.69 -49.73 83.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.749 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.509 HG22 HG21 ' B' ' 9' ' ' VAL . 96.4 t -62.04 -50.52 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.538 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.7 mt -56.34 -46.21 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 0.0 111.258 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -63.88 -38.76 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.703 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.01 -56.26 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.469 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -54.62 -44.87 71.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.353 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.64 -35.05 73.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.611 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.0 73.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.19 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.71 -33.83 66.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.47 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 22' ' ' ILE . 58.0 t -67.88 -52.6 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.763 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.85 -36.64 67.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.441 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.446 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -57.72 -44.03 85.69 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.687 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.8 m -68.64 -37.97 80.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.787 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 18' ' ' VAL . 41.9 mm -61.52 -41.52 90.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.757 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG13 HD11 ' B' ' 20' ' ' LEU . 44.4 mm -63.57 -44.65 98.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -72.37 -20.11 61.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.302 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -76.74 -40.5 48.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.34 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mm -62.91 -43.45 98.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 111.284 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.661 HG12 HD12 ' B' ' 27' ' ' ILE . 2.8 mp -76.39 -36.49 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.607 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.4 tp -50.09 -44.3 51.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.953 0.406 . . . . 0.0 110.397 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -79.56 -31.44 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.654 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 39.5 ttm -59.06 -52.04 67.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.964 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.3 tp -73.35 -24.05 60.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.689 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -65.69 -27.13 68.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.326 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -105.2 9.93 33.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.987 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -135.36 115.62 13.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.832 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -53.99 122.91 37.79 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.138 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.68 134.08 25.27 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.381 2.054 . . . . 0.0 112.553 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -74.27 125.55 28.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -78.69 141.0 38.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.594 -0.202 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -141.87 6.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.657 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 42.7 t -146.2 147.58 31.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.432 HD12 ' N ' ' B' ' 4' ' ' LEU . 6.4 mp -112.99 93.94 27.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.56 169.48 9.77 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.372 2.048 . . . . 0.0 112.158 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.449 ' O ' HG23 ' B' ' 10' ' ' VAL . 2.2 p90 -65.33 -16.73 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -67.53 -26.38 66.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.778 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.5 t -72.21 -44.35 64.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.383 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.509 HG21 HG22 ' A' ' 10' ' ' VAL . 14.2 p -71.24 -31.25 43.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.355 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.501 HG22 HG11 ' A' ' 9' ' ' VAL . 53.8 t -69.1 -50.81 49.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 110.647 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.46 -37.31 79.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.621 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.0 t -67.26 -38.41 85.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.7 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.703 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -65.3 -57.5 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.501 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.483 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.0 tp -58.08 -41.05 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.288 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -69.49 -30.88 68.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 111.005 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.61 89.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.472 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 17' ' ' LEU . 4.5 mm? -71.68 -31.68 67.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.436 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 14' ' ' ILE . 83.4 t -66.94 -49.48 73.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.455 ' O ' HG12 ' B' ' 23' ' ' ILE . 24.5 m -62.91 -35.91 73.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.635 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.442 HD11 HG13 ' A' ' 23' ' ' ILE . 57.4 tp -57.87 -33.35 68.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.696 0.284 . . . . 0.0 110.732 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -74.26 -44.05 54.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.244 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.75 -36.92 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.471 ' O ' HG12 ' B' ' 27' ' ' ILE . 28.9 mm -62.68 -46.27 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.3 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.3 m -65.47 -36.94 85.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.056 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.73 -46.73 81.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.214 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.62 -40.0 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.882 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.661 HD12 HG12 ' A' ' 27' ' ' ILE . 39.7 mm -69.31 -43.5 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.219 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.51 -58.92 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 36.4 mm -56.85 -34.56 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.418 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.9 ttp -65.87 -43.63 87.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.256 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 32.5 tp -75.05 -23.64 58.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -71.85 -38.24 70.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -93.27 10.0 33.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -72.15 -39.46 68.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 22.0 ptmt -60.19 144.25 87.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 8.0 Cg_exo -72.15 128.0 13.38 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -121.06 127.92 52.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -117.25 147.5 42.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.103 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -139.92 -63.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.791 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -117.2 165.63 13.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.738 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -85.66 133.95 40.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.759 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HG2' HG23 ' A' ' 8' ' ' VAL . 35.1 Cg_endo -65.08 149.35 89.27 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.295 1.997 . . . . 0.0 112.175 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' O ' HG23 ' A' ' 10' ' ' VAL . 55.8 p90 -65.59 -19.74 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -59.89 -46.79 88.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.464 HG23 ' HG2' ' A' ' 5' ' ' PRO . 57.7 t -64.99 -35.49 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.816 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.5 HG12 HG12 ' B' ' 9' ' ' VAL . 6.6 t -64.92 -48.38 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.308 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 6' ' ' PHE . 93.8 t -61.1 -50.69 79.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.571 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.3 mt -56.09 -39.25 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.381 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -70.61 -38.93 74.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.29 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.85 -54.84 18.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.556 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.4 mt -55.22 -52.66 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.366 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 tp -53.78 -36.4 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -33.8 76.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.372 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.7 mt -73.08 -32.57 65.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.417 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 22' ' ' ILE . 56.0 t -68.53 -46.58 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.917 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.41 -38.78 83.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.459 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.2 tm? -58.3 -37.81 75.8 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.3 m -73.54 -35.59 65.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.602 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 18' ' ' VAL . 33.7 mm -63.84 -41.37 92.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.389 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -66.44 -42.61 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.618 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.5 t -70.28 -26.39 63.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.401 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 tp -67.63 -52.45 38.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.994 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.68 -39.79 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.516 HD13 HD11 ' B' ' 27' ' ' ILE . 50.6 mt -65.73 -41.67 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.279 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.6 tp -56.32 -51.84 66.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.038 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.2 mt -69.76 -32.99 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.8 ttm -61.36 -43.93 98.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.445 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.1 tp -79.06 -29.61 43.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.458 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -60.56 -33.95 73.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.748 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -104.88 -9.82 17.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.764 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HE2' ' HE2' ' B' ' 35' ' ' LYS . 83.3 tttt 62.05 4.15 1.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.201 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -77.74 113.09 29.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.802 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.31 159.22 53.74 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.29 1.993 . . . . 0.0 112.116 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -116.68 159.02 22.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -96.51 126.63 41.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -128.51 -67.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 0.0 110.956 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.8 p -90.0 147.55 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.791 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 72.1 mt -80.76 112.38 31.35 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.459 ' O ' HG22 ' B' ' 8' ' ' VAL . 33.9 Cg_exo -60.25 169.79 4.7 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.369 2.046 . . . . 0.0 112.36 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.423 ' O ' HG23 ' B' ' 10' ' ' VAL . 11.2 p90 -71.67 -16.3 62.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.04 -48.16 79.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.604 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.459 HG22 ' O ' ' B' ' 5' ' ' PRO . 31.1 m -63.71 -35.02 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.35 . . . . 0.0 110.995 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.5 HG12 HG12 ' A' ' 9' ' ' VAL . 2.7 t -64.71 -48.76 83.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 6' ' ' PHE . 87.8 t -58.04 -53.29 47.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.198 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.4 mm -59.81 -38.61 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.385 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -68.13 -38.81 82.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.05 -57.28 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.436 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tp -57.09 -41.73 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.428 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.08 -34.37 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.146 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.52 -34.37 78.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.266 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 17' ' ' LEU . 4.2 mm? -72.18 -32.41 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.396 . . . . 0.0 110.636 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.406 ' O ' HG12 ' B' ' 22' ' ' ILE . 97.6 t -69.03 -47.51 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.955 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -65.49 -30.84 51.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.173 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.94 -51.01 71.88 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.83 0.348 . . . . 0.0 110.562 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.423 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 88.9 m -64.41 -35.8 82.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.257 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.406 HG12 ' O ' ' B' ' 18' ' ' VAL . 31.9 mm -64.05 -39.74 86.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.695 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.446 HD12 ' CD2' ' A' ' 20' ' ' LEU . 5.1 mt -65.83 -37.06 79.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.805 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.5 m -73.59 -34.21 64.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' B' ' 21' ' ' THR . 86.0 mt -67.72 -42.9 81.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.397 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.38 -43.17 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.704 0.288 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.516 HD11 HD13 ' A' ' 27' ' ' ILE . 49.3 mm -66.16 -43.44 92.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.373 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.35 -54.79 42.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.407 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 54.3 mt -65.5 -31.16 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.358 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 57.8 ttp -66.73 -43.36 84.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 43.8 tp -79.63 -23.3 42.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -68.4 -38.14 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.929 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -92.03 -46.75 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -138.37 -175.47 4.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.825 0.345 . . . . 0.0 111.044 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.437 ' HE2' ' HE2' ' A' ' 34' ' ' LYS . 22.1 ptmt -109.17 156.26 39.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.613 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -49.63 135.3 34.11 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.527 2.151 . . . . 0.0 112.303 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -130.9 153.03 49.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -76.49 147.29 37.92 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.919 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.646 -0.182 . . . . 0.0 112.646 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -126.4 -18.53 4.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.975 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 m -103.14 167.33 9.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 5' ' ' PRO . 47.7 tp -99.12 101.7 13.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.645 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 4' ' ' LEU . 29.7 Cg_endo -63.29 127.42 20.02 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.488 2.125 . . . . 0.0 112.513 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' HG23 ' A' ' 10' ' ' VAL . 46.8 p90 -66.98 -18.23 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.598 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -59.72 -46.23 89.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.275 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -65.46 -35.74 76.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.568 HG12 HG12 ' B' ' 9' ' ' VAL . 2.1 t -64.89 -44.08 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 6' ' ' PHE . 89.2 t -66.25 -57.4 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.522 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.4 mt -53.02 -38.96 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.564 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -70.41 -42.29 71.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -62.28 -54.64 37.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.198 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.5 mm -55.32 -45.08 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.291 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.0 tp -59.04 -36.5 75.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.013 0.435 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.96 -30.78 70.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.228 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.05 -46.93 40.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.565 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 m -60.78 -39.69 82.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.545 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' HG12 ' A' ' 23' ' ' ILE . 33.8 m -69.03 -36.14 72.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.944 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.9 tm? -57.7 -44.71 86.08 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.4 m -63.95 -34.95 79.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.53 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.73 -35.83 71.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.531 HG21 HG23 ' B' ' 23' ' ' ILE . 45.3 mm -63.71 -48.77 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 CA-C-O 120.984 0.421 . . . . 0.0 110.554 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.7 p -73.72 -21.28 60.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.461 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.63 -47.9 71.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.35 -39.68 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.965 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.461 HD11 HD13 ' B' ' 27' ' ' ILE . 42.9 mm -73.01 -36.43 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.43 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -56.97 -46.71 82.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.58 -32.22 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.031 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.8 ttm -59.33 -50.89 72.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.2 tp -73.27 -29.89 63.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.396 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -63.89 -32.36 73.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.459 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -105.44 9.67 33.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.328 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.9 tptp 61.21 -86.45 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.409 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 28.4 mtpp -58.64 127.14 81.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.701 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 32.0 Cg_exo -59.5 138.19 82.38 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.395 2.063 . . . . 0.0 112.187 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -98.78 132.37 44.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.787 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -95.94 116.68 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.733 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 N-CA-C 112.67 -0.172 . . . . 0.0 112.67 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -77.93 151.72 33.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.327 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 73.7 p -114.74 -58.23 2.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.739 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -110.52 154.64 42.98 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.637 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.38 127.66 19.59 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.342 2.028 . . . . 0.0 112.231 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.407 ' O ' HG23 ' B' ' 10' ' ' VAL . 44.4 p90 -70.47 -16.66 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.104 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.426 ' O ' HG12 ' B' ' 11' ' ' ILE . 5.5 tppp? -57.45 -51.98 67.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.26 -35.46 74.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.707 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.568 HG12 HG12 ' A' ' 9' ' ' VAL . 8.1 t -61.54 -55.54 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.785 0.326 . . . . 0.0 111.469 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 6' ' ' PHE . 87.5 t -55.59 -49.21 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.746 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 7' ' ' LYS . 43.8 mm -61.79 -41.04 89.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.244 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.4 t -66.64 -38.54 87.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.301 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -68.7 -54.94 13.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.411 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.464 ' O ' HG23 ' B' ' 18' ' ' VAL . 9.3 tp -59.0 -41.57 83.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.348 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.404 ' N ' HG23 ' B' ' 14' ' ' ILE . 56.1 tp -69.22 -37.57 78.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.351 . . . . 0.0 111.322 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.427 ' O ' HG22 ' B' ' 19' ' ' VAL . . . -63.69 -38.6 91.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.802 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.94 -31.56 72.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.892 0.377 . . . . 0.0 110.559 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 14' ' ' ILE . 92.9 t -70.9 -47.46 62.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.052 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 16' ' ' ALA . 20.1 m -65.77 -29.24 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.478 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 52.8 tp -67.41 -26.57 66.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.884 0.373 . . . . 0.0 110.366 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 86.0 m -83.55 -42.23 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.462 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.73 -42.06 91.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.587 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.531 HG23 HG21 ' A' ' 23' ' ' ILE . 18.8 tt -61.98 -38.68 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 89.1 p -73.74 -32.43 63.85 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.506 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 36.1 mt -65.6 -41.14 93.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.12 -39.72 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.578 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.461 HD13 HD11 ' A' ' 27' ' ' ILE . 47.0 mt -67.37 -44.23 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.005 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.24 -52.34 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.068 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 98.8 mt -67.13 -33.4 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.1 ttp -62.2 -42.23 99.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.469 HD12 ' HD3' ' B' ' 34' ' ' LYS . 37.7 tp -78.69 -23.86 45.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.8 t90 -69.61 -33.44 72.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -99.9 10.3 41.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.469 ' HD3' HD12 ' B' ' 31' ' ' LEU . 26.3 ttpp -58.31 117.28 4.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -113.9 136.08 22.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.609 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -58.39 134.8 63.71 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.343 2.029 . . . . 0.0 112.219 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -81.95 137.19 35.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.979 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -151.17 131.42 13.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.673 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.413 -0.803 . . . . 0.0 111.122 -179.83 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -91.87 -46.23 7.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.876 0.369 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 t -134.75 2.2 3.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 4' ' ' LEU . 6.4 mp -86.94 136.83 33.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.629 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.29 150.52 84.64 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.326 2.017 . . . . 0.0 112.33 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.567 ' HA ' HG22 ' A' ' 9' ' ' VAL . 52.3 p90 -69.71 -15.4 63.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.971 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.14 -47.86 80.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.924 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.0 t -72.8 -42.65 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.567 HG22 ' HA ' ' A' ' 6' ' ' PHE . 19.3 m -66.73 -34.51 70.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.2 p -71.44 -41.94 73.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.113 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.2 mt -70.3 -34.34 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.389 . . . . 0.0 110.711 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -71.88 -38.6 69.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.692 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.27 -53.87 37.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 18' ' ' VAL . 80.8 mt -55.0 -48.33 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.0 tp -56.88 -37.61 71.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.8 72.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.004 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.35 -31.81 64.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.408 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 14' ' ' ILE . 59.8 t -69.0 -41.4 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 23' ' ' ILE . 30.8 m -73.41 -30.48 30.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.611 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.663 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -58.45 -38.36 77.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.914 0.387 . . . . 0.0 110.055 179.501 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.1 m -74.94 -34.01 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.959 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.5 -46.58 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.0 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.597 ' HB ' HD12 ' B' ' 23' ' ' ILE . 46.6 mm -57.92 -47.12 87.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -73.14 -23.76 60.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.536 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.01 -49.83 64.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.772 0.32 . . . . 0.0 111.15 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.1 mm -57.06 -39.6 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.434 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.472 HD11 HD13 ' B' ' 27' ' ' ILE . 25.8 mm -73.18 -36.86 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.511 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.83 -43.85 81.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.886 0.374 . . . . 0.0 110.576 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -79.45 -32.36 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.3 ttm -60.04 -49.92 75.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.9 tp -75.12 -29.92 60.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.581 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -61.59 -30.41 70.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.669 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -104.56 -0.01 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 59.49 -87.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.407 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -87.47 155.72 53.89 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -68.97 147.4 67.88 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.414 2.076 . . . . 0.0 112.035 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -82.58 144.86 30.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -106.57 134.45 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.873 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.924 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 60.61 102.53 0.02 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.898 0.38 . . . . 0.0 111.101 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 87.0 p -112.52 -178.18 3.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 55.3 mt -80.65 153.47 73.25 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.454 ' O ' HG22 ' B' ' 8' ' ' VAL . 31.5 Cg_endo -63.91 164.79 20.68 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.395 2.063 . . . . 0.0 112.155 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -71.41 -16.5 62.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.997 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -58.23 -52.89 63.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.393 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.454 HG22 ' O ' ' B' ' 5' ' ' PRO . 30.7 m -59.36 -35.54 58.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.425 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t -63.74 -49.52 81.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.401 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.37 -47.89 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.77 -35.62 68.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.233 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.5 t -68.08 -38.71 82.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.02 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.619 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -68.92 -51.79 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.666 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.415 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.7 tp -62.1 -39.88 85.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.55 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 19' ' ' VAL . 60.7 tp -69.09 -42.33 76.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.22 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.51 89.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.567 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.41 -36.78 81.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.929 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.462 ' O ' HG12 ' B' ' 22' ' ' ILE . 98.5 t -68.42 -40.11 81.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.663 HG12 HD21 ' A' ' 20' ' ' LEU . 72.4 t -67.45 -39.92 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.471 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.726 HD12 HD11 ' B' ' 23' ' ' ILE . 60.5 tp -57.61 -31.94 66.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.736 0.303 . . . . 0.0 110.738 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 59.7 m -78.52 -32.3 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.509 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.462 HG12 ' O ' ' B' ' 18' ' ' VAL . 46.8 mm -69.95 -46.78 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.726 HD11 HD12 ' B' ' 20' ' ' LEU . 30.3 pt -64.02 -32.71 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 94.0 p -72.43 -39.03 68.17 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.2 -39.25 92.59 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.709 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.71 -40.77 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.073 0.463 . . . . 0.0 110.577 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.472 HD13 HD11 ' A' ' 27' ' ' ILE . 53.1 mt -66.92 -46.1 85.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.951 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.5 tp -55.51 -56.44 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.999 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.6 mt -62.88 -31.08 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.195 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 30.2 ttm -64.78 -44.64 89.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 49.4 tp -78.86 -23.72 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -69.52 -35.06 75.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.721 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -95.36 7.59 45.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -95.64 -54.92 3.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.915 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 68.2 mttm -109.12 112.17 59.92 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.74 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 16.6 Cg_exo -68.57 168.43 19.87 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.494 2.129 . . . . 0.0 112.251 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -99.23 153.5 18.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -100.49 147.26 26.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.047 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.82 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -89.97 -58.25 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 0.0 110.552 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 m -77.89 142.15 38.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.805 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -106.12 141.46 22.79 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.771 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.94 154.76 71.59 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.435 2.09 . . . . 0.0 112.099 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 10' ' ' VAL . 43.4 p90 -71.22 -17.15 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 11' ' ' ILE . 99.3 mttt -57.98 -53.65 55.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.227 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -58.07 -35.06 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.603 HG12 HG12 ' B' ' 9' ' ' VAL . 2.8 t -64.99 -44.24 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 6' ' ' PHE . 67.2 t -66.64 -48.03 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.534 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 7' ' ' LYS . 45.2 mm -58.07 -38.82 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.217 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.6 m -72.03 -39.8 68.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.208 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.86 -57.44 8.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.446 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 18' ' ' VAL . 86.6 mt -54.61 -46.55 72.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.83 -38.08 69.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.704 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.22 -33.58 76.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.042 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.19 -34.19 70.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.658 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 14' ' ' ILE . 47.0 t -67.04 -47.91 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 m -66.73 -31.06 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.417 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.755 HD21 HG12 ' B' ' 19' ' ' VAL . 0.2 OUTLIER -57.99 -40.6 81.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.993 0.425 . . . . 0.0 110.226 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -73.72 -37.37 65.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.792 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.2 mt -64.77 -37.54 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.536 HG13 HD11 ' B' ' 20' ' ' LEU . 29.1 mm -66.81 -45.84 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.022 0.439 . . . . 0.0 110.457 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -73.43 -18.47 61.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.231 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.6 tp -75.43 -49.0 20.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.221 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.26 -41.68 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.536 HD13 HG23 ' B' ' 27' ' ' ILE . 10.2 tp -73.41 -36.26 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.184 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 tp -57.09 -50.23 73.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.938 0.399 . . . . 0.0 110.399 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mm -70.14 -34.57 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.751 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 44.0 ttm -60.71 -42.54 97.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.755 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.7 tp -79.29 -30.29 42.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.601 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -59.58 -35.03 73.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.579 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 30.0 mm-40 -105.31 -11.91 16.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.633 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp 62.63 18.57 10.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 33' ' ' GLN . 53.5 mtpt -111.83 153.32 44.47 Favored Pre-proline 0 C--O 1.233 0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.786 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -72.16 126.52 11.83 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.429 2.086 . . . . 0.0 112.654 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -131.58 140.6 49.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.0 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -134.81 144.46 47.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.936 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.747 179.749 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.581 -0.208 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -85.03 -4.28 59.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.723 0.297 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -93.03 144.26 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.74 147.6 84.08 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.54 142.67 99.26 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.467 2.111 . . . . 0.0 112.302 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -63.41 -21.98 66.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.63 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.412 ' O ' HG12 ' B' ' 11' ' ' ILE . 37.6 ttpt -58.01 -33.69 69.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 t -68.6 -36.06 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.603 HG12 HG12 ' A' ' 9' ' ' VAL . 6.5 t -69.67 -40.04 78.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.563 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.25 -56.39 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.77 -179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.412 HG12 ' O ' ' B' ' 7' ' ' LYS . 13.5 pt -60.89 -38.97 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.615 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -66.18 -38.11 87.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.13 -56.17 12.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.428 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.436 ' O ' HG23 ' B' ' 18' ' ' VAL . 8.3 tp -60.51 -40.66 85.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.132 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.414 ' O ' HG23 ' B' ' 19' ' ' VAL . 60.5 tp -66.29 -36.72 83.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.56 96.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.178 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.38 -39.62 93.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.551 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 14' ' ' ILE . 95.5 t -63.36 -35.58 72.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.164 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.755 HG12 HD21 ' A' ' 20' ' ' LEU . 76.4 t -70.62 -42.83 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.056 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.536 HD11 HG13 ' A' ' 23' ' ' ILE . 52.3 tp -57.72 -33.88 68.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.688 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 68.3 m -72.93 -42.17 63.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.211 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.417 ' O ' HG13 ' B' ' 26' ' ' ILE . 38.8 mm -61.42 -42.92 95.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.517 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.452 HG12 ' O ' ' B' ' 19' ' ' VAL . 32.0 mm -61.74 -38.85 81.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.759 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.0 t -70.14 -35.64 74.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.428 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.48 -43.56 72.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 22' ' ' ILE . 96.3 mt -58.19 -43.29 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.536 HG23 HD13 ' A' ' 27' ' ' ILE . 87.2 mt -69.89 -38.26 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.63 -56.67 18.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.254 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 75.5 mt -64.32 -36.85 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.574 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.1 ttp -59.37 -39.05 82.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 tp -81.68 -23.88 36.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.652 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -67.97 -39.15 83.38 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.174 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -93.14 -17.87 23.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.138 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 tttt 62.1 -84.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.067 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' B' ' 36' ' ' PRO . 87.8 tttt -73.16 130.34 84.8 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.667 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 35' ' ' LYS . 32.1 Cg_exo -58.79 146.7 91.76 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.485 2.123 . . . . 0.0 112.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -69.35 162.19 27.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -101.69 130.03 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.828 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -125.66 -21.79 4.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 m -88.64 6.39 38.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.7 mt -82.54 118.92 73.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.56 138.9 61.61 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.368 2.046 . . . . 0.0 112.323 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -67.45 -17.05 64.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.82 -44.9 93.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.069 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.4 t -69.25 -36.0 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.294 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.443 HG12 HG12 ' B' ' 9' ' ' VAL . 2.3 t -64.12 -45.77 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.042 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.3 t -65.91 -55.53 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.449 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.2 mt -54.85 -37.72 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.369 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -70.46 -43.25 70.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -56.08 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -55.07 -41.87 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -56.52 -52.65 63.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.438 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.92 -32.97 70.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.304 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.22 -41.01 99.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.686 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.04 -34.19 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.802 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 15' ' ' LEU . 60.0 t -68.67 -37.58 77.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.521 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.536 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.66 -32.61 74.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.6 m -74.94 -35.23 62.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.836 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.09 -43.3 51.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.994 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.615 HG23 HG21 ' B' ' 23' ' ' ILE . 9.0 tp -63.37 -38.97 83.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.9 p -73.99 -29.88 62.19 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.6 -39.02 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mm -62.19 -39.69 84.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.925 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.48 HD11 HD11 ' B' ' 27' ' ' ILE . 32.8 mt -71.44 -38.73 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.117 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.54 -46.2 89.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mm -75.23 -32.81 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.272 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.5 ttm -65.47 -43.85 89.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.203 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -78.32 -34.55 48.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.628 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -60.3 -32.35 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.628 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -104.04 7.72 36.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -79.28 -39.46 32.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.73 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -73.34 146.26 86.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.735 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -75.22 154.5 41.5 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.319 2.012 . . . . 0.0 112.293 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.12 120.58 31.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -77.99 135.65 37.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.883 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -63.12 111.38 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.351 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -156.23 -39.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -64.06 150.82 91.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.767 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.4 152.53 66.74 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.46 2.106 . . . . 0.0 112.297 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -69.8 -20.16 63.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -58.7 -35.65 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.779 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.412 HG23 ' H ' ' B' ' 8' ' ' VAL . 2.6 t -67.38 -35.76 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.052 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.443 HG12 HG12 ' A' ' 9' ' ' VAL . 3.5 t -68.29 -49.54 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.51 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.25 -55.68 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.88 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.62 -40.09 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.483 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.0 t -66.62 -38.25 86.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.218 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.43 -57.37 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.791 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.415 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.0 tt -59.94 -42.67 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.683 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.401 ' N ' HG23 ' B' ' 14' ' ' ILE . 64.2 tp -63.25 -34.23 77.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.79 0.328 . . . . 0.0 110.811 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.0 82.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.354 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.93 -37.04 67.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.577 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 14' ' ' ILE . 96.5 t -65.46 -43.23 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.43 ' O ' HG12 ' B' ' 23' ' ' ILE . 33.7 m -72.39 -32.04 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.394 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -57.51 -42.95 83.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.891 0.377 . . . . 0.0 110.326 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 61.7 m -66.91 -34.03 76.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.097 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.425 ' O ' HG13 ' B' ' 26' ' ' ILE . 43.9 mm -65.4 -46.2 90.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.595 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.615 HG21 HG23 ' A' ' 23' ' ' ILE . 49.3 mm -58.58 -36.7 60.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.7 m -71.12 -42.27 69.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.384 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.31 -35.86 80.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.219 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 22' ' ' ILE . 91.5 mt -62.54 -40.39 88.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.715 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.48 HD11 HD11 ' A' ' 27' ' ' ILE . 28.2 mt -70.72 -41.16 77.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.06 -55.66 30.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.244 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.5 mt -66.52 -37.65 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.419 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.4 ttp -57.2 -45.78 83.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.27 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 28.3 tp -79.79 -25.85 40.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -64.62 -34.89 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.724 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -99.55 2.72 45.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.555 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 55.82 -165.7 0.12 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.981 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -59.39 149.35 69.72 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.45 132.99 30.84 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.542 2.162 . . . . 0.0 112.429 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -85.09 138.74 32.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -99.39 139.98 34.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.257 1.486 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.065 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.62 -0.192 . . . . 0.0 112.62 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -128.59 3.46 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.814 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 m -94.31 15.2 18.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.782 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.6 mt -85.41 150.26 53.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.23 166.26 6.08 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.52 2.147 . . . . 0.0 112.307 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.459 ' HA ' HG12 ' A' ' 9' ' ' VAL . 52.0 p90 -67.4 -15.78 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -57.06 -43.92 82.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.5 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.5 t -72.19 -42.59 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.474 HG21 HG22 ' B' ' 10' ' ' VAL . 9.1 p -66.18 -34.62 71.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 6' ' ' PHE . 75.3 t -71.4 -53.79 19.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.718 0.294 . . . . 0.0 111.022 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -57.21 -39.28 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.961 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -67.06 -38.96 86.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.878 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -64.57 -54.14 36.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -55.44 -45.92 78.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.174 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.9 tp -58.47 -37.99 76.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.92 -31.94 73.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.79 -37.2 65.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.19 -40.98 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.347 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.8 p -71.48 -29.34 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.531 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CD1' HG13 ' B' ' 23' ' ' ILE . 46.5 tp -69.53 -25.74 64.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 110.715 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.9 m -83.24 -35.51 25.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.528 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.6 mt -72.77 -40.13 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.517 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.625 HG23 HG21 ' B' ' 23' ' ' ILE . 7.9 tp -64.55 -39.15 84.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.418 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.2 t -74.61 -31.31 61.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.974 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.94 -44.07 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.123 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.8 -39.67 84.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.564 HD11 HD11 ' B' ' 27' ' ' ILE . 59.3 mt -68.33 -38.59 79.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.254 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.49 -50.7 72.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.2 mm -70.58 -37.37 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.237 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.9 ttm -60.2 -51.46 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.826 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.5 tp -70.47 -26.82 63.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -64.93 -26.89 68.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -101.33 10.43 40.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -119.96 -68.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.773 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -76.04 121.92 85.92 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -64.45 150.55 88.05 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.313 2.009 . . . . 0.0 112.117 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -97.94 112.32 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.769 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -89.0 118.66 28.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.994 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.467 0.392 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.747 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -85.89 -33.59 21.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.807 0.337 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -143.31 104.45 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.751 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 79.0 mt -111.6 146.62 35.06 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.036 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.461 ' O ' HG22 ' B' ' 8' ' ' VAL . 25.2 Cg_exo -63.23 128.38 22.56 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.561 2.174 . . . . 0.0 112.263 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -72.19 -16.99 61.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.046 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -59.04 -47.66 84.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.861 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 5' ' ' PRO . 18.7 m -62.42 -35.24 68.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.663 0.268 . . . . 0.0 111.33 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.79 -49.52 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.687 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.474 HG22 HG21 ' A' ' 9' ' ' VAL . 53.5 t -60.81 -48.85 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.526 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.3 -34.93 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.395 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -70.94 -38.84 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.143 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -65.7 -53.2 44.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.587 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.447 ' O ' HG23 ' B' ' 18' ' ' VAL . 19.2 tt -62.08 -39.02 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.429 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.9 tp -69.46 -31.73 70.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.014 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.24 82.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.494 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -73.21 -36.63 66.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.797 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 14' ' ' ILE . 96.4 t -64.24 -42.51 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.453 ' O ' HG12 ' B' ' 23' ' ' ILE . 32.9 m -74.31 -34.71 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.409 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.46 -43.93 84.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.71 0.291 . . . . 0.0 110.512 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -66.37 -32.8 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 0.0 110.102 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 26' ' ' ILE . 96.6 mt -70.46 -34.81 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.376 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.625 HG21 HG23 ' A' ' 23' ' ' ILE . 38.0 mm -64.07 -41.22 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.408 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 81.6 p -72.06 -38.39 69.47 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.49 -34.78 74.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.652 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 22' ' ' ILE . 96.7 mt -65.31 -40.67 89.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.76 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 27' ' ' ILE . 38.4 mt -69.42 -42.5 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -55.92 -57.58 11.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.205 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.94 -30.66 51.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 36.6 ttm -61.39 -52.1 66.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.504 ' HA ' ' HB3' ' B' ' 34' ' ' LYS . 50.3 tp -74.01 -24.41 59.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.098 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -63.94 -35.51 80.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.803 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -104.25 7.35 35.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.504 ' HB3' ' HA ' ' B' ' 31' ' ' LEU . 60.3 tttm -98.99 -19.39 17.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.691 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' B' ' 35' ' ' LYS . 6.9 ttpm? -87.64 119.27 70.6 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.846 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.11 158.98 54.25 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.401 2.068 . . . . 0.0 112.372 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -118.51 144.64 45.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.801 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -129.02 145.68 51.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.137 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.849 179.841 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -101.26 -25.88 13.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.628 0.252 . . . . 0.0 110.99 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m 63.13 -82.2 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.354 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.2 tp -99.75 109.1 54.46 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.03 158.96 51.62 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.277 1.985 . . . . 0.0 112.183 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 10' ' ' VAL . 45.8 p90 -71.1 -16.35 62.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -57.74 -53.21 60.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.374 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.93 -35.65 69.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.212 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.615 HG12 HG12 ' B' ' 9' ' ' VAL . 2.5 t -64.6 -45.73 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.339 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 6' ' ' PHE . 91.9 t -66.79 -52.77 41.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.467 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -55.34 -38.72 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.437 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.5 t -70.26 -39.71 74.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.857 0.36 . . . . 0.0 111.105 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.37 -55.9 15.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.234 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.2 mt -55.35 -44.05 73.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.15 -39.56 79.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.64 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.7 mt -73.05 -34.76 66.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.447 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.67 -45.68 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 23' ' ' ILE . 33.7 m -66.6 -35.03 73.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.365 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.53 HD21 HG12 ' B' ' 19' ' ' VAL . 1.3 tm? -57.95 -44.71 87.15 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.784 0.326 . . . . 0.0 110.241 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.8 m -66.28 -32.47 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.391 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -71.23 -34.07 53.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.51 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 19' ' ' VAL . 34.7 mm -63.8 -49.44 81.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.675 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.0 p -73.54 -23.4 59.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.838 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.7 -51.49 58.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.636 0.255 . . . . 0.0 111.33 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -59.16 -41.05 82.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.084 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 23' ' ' ILE . 33.5 mm -70.55 -35.89 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.29 -44.88 92.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -76.41 -40.85 35.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.382 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.5 ttp -59.5 -43.34 93.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.965 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -74.77 -27.09 60.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.329 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -70.46 -26.23 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.759 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -105.49 10.06 33.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.316 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HG2' ' HD2' ' A' ' 35' ' ' LYS . 39.0 ttmt -120.39 -66.86 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.773 0.321 . . . . 0.0 110.813 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.524 ' HD2' ' HG2' ' A' ' 34' ' ' LYS . 4.7 mptp? -99.09 134.33 21.46 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.592 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -61.39 145.29 98.32 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.337 2.025 . . . . 0.0 112.295 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -104.73 139.3 39.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -116.28 139.76 50.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.964 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.338 -0.305 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -108.98 -61.99 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.709 0.29 . . . . 0.0 110.71 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -121.68 127.54 50.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.797 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.763 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.6 pt? -116.46 147.03 38.79 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.99 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.462 ' O ' HG22 ' B' ' 8' ' ' VAL . 51.9 Cg_exo -55.28 126.17 21.61 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.551 2.167 . . . . 0.0 112.348 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -71.74 -17.51 62.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.782 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -58.24 -51.89 67.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.265 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.462 HG22 ' O ' ' B' ' 5' ' ' PRO . 33.7 m -61.93 -35.58 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.358 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.615 HG12 HG12 ' A' ' 9' ' ' VAL . 5.5 t -63.07 -51.97 64.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.252 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.409 ' O ' HG22 ' B' ' 14' ' ' ILE . 69.2 t -58.1 -50.46 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.581 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.54 -33.53 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.17 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 44.8 t -71.53 -38.63 71.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.058 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.19 -53.88 15.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.479 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.409 HG22 ' O ' ' B' ' 10' ' ' VAL . 8.6 tp -57.43 -41.83 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.405 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.406 ' N ' HG23 ' B' ' 14' ' ' ILE . 55.2 tp -68.9 -34.48 75.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.93 99.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.69 -38.78 86.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.644 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.445 ' O ' HD13 ' B' ' 22' ' ' ILE . 47.9 t -67.48 -34.98 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.558 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.53 HG12 HD21 ' A' ' 20' ' ' LEU . 62.4 t -70.95 -34.59 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.433 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.51 ' O ' HD13 ' B' ' 20' ' ' LEU . 0.4 OUTLIER -67.18 -32.26 73.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.85 0.357 . . . . 0.0 110.627 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.404 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 40.5 m -76.5 -43.79 38.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.696 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.445 HD13 ' O ' ' B' ' 18' ' ' VAL . 1.7 mp -68.33 -41.56 83.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.008 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.429 HG23 HG21 ' A' ' 23' ' ' ILE . 17.0 tt -61.56 -37.54 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 84.5 p -74.08 -34.9 64.17 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.866 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 21' ' ' THR . 56.7 mt -63.4 -44.93 93.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -54.44 -39.71 46.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.634 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 36.2 mt -69.58 -40.03 79.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.709 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.32 -58.16 9.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.102 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -62.29 -36.4 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 34.4 ttm -56.18 -46.9 79.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.982 0.42 . . . . 0.0 110.775 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -76.58 -23.78 53.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.937 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -68.52 -32.72 72.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -104.53 7.66 35.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -88.55 -55.53 3.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.708 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -88.32 152.95 50.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.736 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.99 141.31 57.1 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.403 2.069 . . . . 0.0 112.23 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -90.35 133.22 35.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -119.61 145.54 46.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.381 -0.819 . . . . 0.0 110.913 179.839 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.119 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 65.9 m80 58.68 17.42 5.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.743 0.306 . . . . 0.0 111.351 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 t -95.66 -58.89 1.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.093 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 4' ' ' LEU . 7.1 mp -82.96 132.64 50.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.4 135.05 67.38 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.397 2.064 . . . . 0.0 112.17 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -64.5 -15.72 61.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -57.1 -50.83 71.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.122 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -70.78 -35.73 61.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.282 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.551 HG12 HG12 ' B' ' 9' ' ' VAL . 4.3 t -58.89 -50.67 78.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.409 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 14' ' ' ILE . 84.8 t -61.99 -58.71 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.592 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.4 mt -49.87 -38.83 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -71.7 -38.6 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.77 -57.31 10.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.894 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 18' ' ' VAL . 19.4 pt -61.81 -38.45 80.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.37 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 tp -56.19 -54.91 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.676 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.12 -31.31 69.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.033 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.61 -36.58 82.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.544 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 14' ' ' ILE . 97.4 t -68.75 -39.81 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.268 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 23' ' ' ILE . 58.9 t -63.05 -38.14 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -57.4 -38.15 73.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.223 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -71.59 -35.75 70.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.555 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 18' ' ' VAL . 49.4 mm -66.38 -38.9 82.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.714 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.5 HG21 HG23 ' B' ' 23' ' ' ILE . 42.3 mm -65.45 -45.39 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.767 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.9 t -73.31 -21.63 60.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.701 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -68.89 -49.95 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.741 0.305 . . . . 0.0 111.075 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -59.3 -39.65 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.504 HD11 HD13 ' B' ' 27' ' ' ILE . 41.8 mm -72.44 -36.72 55.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.52 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.43 -42.2 91.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.5 mm -79.08 -40.92 22.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.58 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 ttp -60.53 -38.78 85.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.725 0.297 . . . . 0.0 110.901 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.5 tp -77.9 -33.18 52.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.057 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.3 t90 -64.62 -29.83 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.664 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -101.43 5.82 42.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.771 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.8 tttm 58.23 -85.88 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.432 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 3.1 mmmp? -64.74 137.23 97.08 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 24.2 Cg_exo -63.76 140.94 76.64 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.553 2.169 . . . . 0.0 112.032 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -117.87 145.89 44.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -85.56 122.56 29.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.829 179.918 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.569 -0.213 . . . . 0.0 112.569 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -152.68 -7.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.763 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -136.01 -19.81 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.605 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.79 136.64 92.48 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.702 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.548 ' O ' HG22 ' B' ' 8' ' ' VAL . 41.6 Cg_endo -67.52 156.45 66.07 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.253 1.969 . . . . 0.0 112.294 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -71.3 -16.39 62.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -58.01 -40.62 81.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.45 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.548 HG22 ' O ' ' B' ' 5' ' ' PRO . 16.8 m -64.55 -35.14 73.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.81 0.338 . . . . 0.0 111.223 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.551 HG12 HG12 ' A' ' 9' ' ' VAL . 2.5 t -65.97 -48.65 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.214 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.39 -47.65 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.395 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 69.8 mt -66.38 -36.42 77.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.419 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -68.92 -38.73 79.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 111.115 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.38 -52.71 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.258 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.471 ' O ' HG23 ' B' ' 18' ' ' VAL . 9.5 tp -59.99 -37.31 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.28 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.38 -36.56 76.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.232 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.96 79.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.275 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.64 -31.67 68.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 110.39 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 14' ' ' ILE . 92.1 t -70.86 -42.37 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.925 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.11 -24.95 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.48 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -26.92 65.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.975 0.417 . . . . 0.0 110.178 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 86.3 m -83.89 -42.35 16.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.585 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 66.1 mt -68.58 -38.07 78.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.5 HG23 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -63.15 -35.62 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.295 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.433 ' HA ' HD12 ' B' ' 27' ' ' ILE . 31.0 m -74.08 -44.18 54.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.956 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -55.18 -45.36 75.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.64 -40.34 50.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.608 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.504 HD13 HD11 ' A' ' 27' ' ' ILE . 46.0 mt -67.21 -47.35 81.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.78 -56.17 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.443 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.01 -34.56 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.341 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.4 ttp -60.68 -46.82 88.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 110.552 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 31.2 tp -75.46 -25.18 57.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.42 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -65.95 -33.54 76.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.778 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -104.68 6.72 34.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -77.5 -65.85 0.91 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -96.99 122.13 57.3 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.934 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.91 159.68 52.87 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.338 2.026 . . . . 0.0 112.266 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -101.39 117.31 34.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -83.35 129.25 34.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.77 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.888 -179.923 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 62.7 m80 59.51 11.22 2.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.488 0.185 . . . . 0.0 111.358 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t 59.34 99.03 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.051 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -116.26 151.57 46.93 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.43 165.89 8.62 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.559 2.173 . . . . 0.0 112.236 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.492 ' HA ' HG12 ' A' ' 9' ' ' VAL . 43.6 p90 -70.97 -16.94 62.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' HG12 ' A' ' 11' ' ' ILE . 33.9 ttmt -63.07 -42.97 99.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.762 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.2 t -72.42 -39.55 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 6' ' ' PHE . 12.4 p -68.67 -32.31 54.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 6' ' ' PHE . 47.9 t -71.09 -47.79 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.641 0.258 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 7' ' ' LYS . 37.5 mm -58.94 -41.55 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -69.36 -40.66 77.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -61.39 -53.93 50.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.1 mt -56.31 -49.1 78.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.357 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 19' ' ' VAL . 55.8 tp -55.39 -40.3 71.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.848 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' B' ' 16' ' ' ALA . . . -57.54 -43.11 84.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.24 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.41 -33.5 75.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.5 t -68.87 -36.01 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.723 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 23' ' ' ILE . 65.0 t -69.83 -44.01 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.188 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.577 HD21 HG12 ' B' ' 19' ' ' VAL . 1.7 tm? -57.29 -39.7 76.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.235 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.0 m -66.21 -33.92 76.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.581 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.3 mm -72.8 -38.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.775 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.534 HG21 HG23 ' B' ' 23' ' ' ILE . 49.2 mm -62.72 -47.55 92.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.987 0.422 . . . . 0.0 110.928 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.0 t -73.07 -22.42 60.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.472 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.6 tp -70.11 -45.68 66.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.6 mm -62.45 -41.17 90.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.343 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.501 HD11 HD13 ' B' ' 27' ' ' ILE . 46.1 mm -73.55 -36.51 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.624 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.7 tp -54.13 -50.93 65.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.998 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 29' ' ' ILE . 2.5 mp -74.93 -34.73 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.8 ttm -56.34 -45.41 80.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.686 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -78.87 -25.94 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.63 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -63.55 -32.17 73.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.674 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -105.27 9.63 33.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.942 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -90.22 -30.17 17.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -77.72 113.54 33.3 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.796 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -77.23 144.61 23.5 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.414 2.076 . . . . 0.0 112.385 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -77.61 152.3 33.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -153.93 153.08 31.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.217 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.794 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.207 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -95.13 -42.3 8.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.896 0.379 . . . . 0.0 110.78 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -150.27 110.1 4.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 85.0 mt -97.31 149.69 35.99 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.716 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.03 147.61 63.03 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.449 2.099 . . . . 0.0 112.23 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -69.43 -18.88 63.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.715 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.435 ' O ' HG12 ' B' ' 11' ' ' ILE . 41.0 ttmt -64.06 -40.42 96.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.9 t -62.85 -35.53 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 37.2 t -71.12 -45.21 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.353 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.67 -49.42 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.463 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.435 HG12 ' O ' ' B' ' 7' ' ' LYS . 37.0 mm -63.46 -35.77 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.195 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.0 t -69.64 -38.53 77.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -67.3 -56.07 11.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.495 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.413 HG23 ' N ' ' B' ' 15' ' ' LEU . 8.1 tp -57.35 -42.46 80.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.574 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.413 ' N ' HG23 ' B' ' 14' ' ' ILE . 62.9 tp -69.4 -35.6 75.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.028 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' A' ' 16' ' ' ALA . . . -58.33 -45.07 88.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.36 -38.52 91.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.023 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 14' ' ' ILE . 91.6 t -64.26 -38.39 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.623 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.577 HG12 HD21 ' A' ' 20' ' ' LEU . 84.4 t -72.74 -32.21 39.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.416 HD21 HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -65.33 -31.36 72.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.691 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 63.0 m -78.37 -45.28 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.152 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.29 -43.14 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.534 HG23 HG21 ' A' ' 23' ' ' ILE . 19.7 tt -59.35 -38.39 74.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.67 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.535 ' HA ' HD12 ' B' ' 27' ' ' ILE . 95.1 p -73.99 -35.25 64.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.942 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.2 mt -62.93 -42.49 99.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.5 mt -56.1 -39.67 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.444 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' B' ' 24' ' ' SER . 21.6 mt -68.17 -41.83 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.862 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.3 -56.6 20.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.344 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.23 -32.53 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.511 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 59.5 ttp -62.08 -45.79 91.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 29.7 tp -78.38 -23.84 46.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.746 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -64.4 -35.23 80.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.209 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -93.69 10.59 32.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.241 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -122.74 169.74 10.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.889 0.376 . . . . 0.0 110.935 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -66.92 150.46 97.81 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.009 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.91 166.73 29.21 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.468 2.112 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -95.74 119.56 34.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -87.94 147.12 25.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.593 -0.718 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 57.03 -175.79 0.06 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.856 0.36 . . . . 0.0 111.106 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -163.03 -1.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.4 mm? -88.6 142.19 30.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -56.26 152.92 36.08 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.44 2.093 . . . . 0.0 112.3 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -69.98 -16.42 63.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -57.95 -51.77 68.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.098 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.1 -35.62 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.207 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.573 HG12 HG12 ' B' ' 9' ' ' VAL . 2.7 t -64.03 -50.09 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.07 -56.1 19.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.558 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.3 mt -52.84 -36.49 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.426 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -71.65 -40.42 69.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.153 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.16 -56.36 11.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.375 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.22 -46.63 77.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.155 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.8 tp -54.77 -50.83 67.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.832 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.95 -32.83 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.2 tp -67.41 -35.27 78.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.356 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.83 -30.89 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.38 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.0 t -71.6 -31.72 43.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.411 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.481 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.33 -29.09 66.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.908 0.385 . . . . 0.0 110.314 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.1 m -78.96 -36.98 40.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.683 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -74.21 -41.35 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.962 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.493 HG23 HG21 ' B' ' 23' ' ' ILE . 6.8 tp -61.8 -43.07 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.666 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.8 p -75.15 -29.36 60.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.32 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.8 -52.08 66.59 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.252 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.9 mm -54.55 -39.46 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.568 HD11 HD13 ' B' ' 27' ' ' ILE . 38.6 mm -72.34 -36.2 54.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.487 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.67 -43.98 93.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.738 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -77.29 -34.45 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.4 ttm -60.89 -43.9 97.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.743 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.5 tp -77.24 -32.78 56.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.645 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.6 t90 -63.92 -26.46 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.802 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -105.11 6.88 33.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -129.17 -172.18 2.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 111.082 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -53.68 112.88 4.16 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.208 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -62.25 145.0 96.2 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.378 2.052 . . . . 0.0 112.182 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -66.01 142.23 57.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -116.55 154.92 29.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.757 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.218 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -77.11 145.79 37.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.786 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 79.3 p -100.77 112.15 24.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.46 ' HB3' HG21 ' B' ' 8' ' ' VAL . 89.6 mt -73.32 146.32 86.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.454 ' O ' HG22 ' B' ' 8' ' ' VAL . 34.4 Cg_endo -64.77 169.7 11.18 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.317 2.011 . . . . 0.0 112.026 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -71.6 -16.96 62.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -58.54 -51.28 70.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.446 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.46 HG21 ' HB3' ' B' ' 4' ' ' LEU . 28.0 m -62.74 -35.46 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.63 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.573 HG12 HG12 ' A' ' 9' ' ' VAL . 3.3 t -60.7 -49.54 84.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 111.262 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -63.99 -48.19 87.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.391 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 77.9 mt -59.96 -35.65 62.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.285 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.5 t -71.83 -38.67 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.053 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.44 -54.64 21.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.41 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.28 -38.84 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.649 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 tp -69.4 -40.65 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.17 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.74 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.365 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -71.51 -39.05 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.753 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.411 ' O ' HG13 ' B' ' 22' ' ' ILE . 98.2 t -64.63 -49.14 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.002 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.457 ' O ' HG12 ' B' ' 23' ' ' ILE . 33.5 m -64.46 -37.78 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.317 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.1 tp -57.4 -38.26 74.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.824 0.345 . . . . 0.0 110.414 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -71.79 -34.71 69.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 18' ' ' VAL . 72.7 mt -67.83 -38.69 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.493 HG21 HG23 ' A' ' 23' ' ' ILE . 36.1 mm -60.15 -42.53 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.926 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 20.3 m -66.26 -39.5 89.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.16 -40.62 96.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.12 -41.16 90.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.568 HD13 HD11 ' A' ' 27' ' ' ILE . 31.2 mt -69.92 -39.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.089 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.1 -55.69 30.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.464 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.43 -37.23 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.399 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.2 ttp -58.7 -45.55 89.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.056 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 54.5 tp -79.21 -23.7 43.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -66.17 -36.39 82.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -92.42 10.31 30.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.064 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -132.66 113.08 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.96 118.02 63.21 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.05 151.32 16.69 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.553 2.168 . . . . 0.0 112.444 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -106.57 149.43 27.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.006 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -122.66 119.14 29.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.912 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--O 1.257 1.477 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.171 179.821 . . . . . . . . 0 0 . 1 stop_ save_